Product OPENEYE NAME: [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecah
CAS Name: 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]-2-oxanyl]oxy]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] es
IUPAC NAME: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
SYSTEMATIC NAME: [6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[6-[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxyl
MOLECULAR FORMULA: C48H78O18
MOLECULAR WEIGHT: 943.12212
SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)O)O)O)O)O)O
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Product OPENEYE NAME: 5-[4-[5-methoxy-3-oxo-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]butyl]tetrahydrofuran-2-one
CAS Name: 5-[4-[5-methoxy-3-oxo-2-[(Z)-pent-2-enyl]-1-cyclopentenyl]butyl]-2-oxolanone
IUPAC NAME: 5-[4-[5-methoxy-3-oxo-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]butyl]oxolan-2-one
SYSTEMATIC NAME: 5-[4-[5-methoxy-3-oxidanylidene-2-[(Z)-pent-2-enyl]cyclopenten-1-yl]butyl]oxolan-2-one
MOLECULAR FORMULA: C19H28O4
MOLECULAR WEIGHT: 320.42322
SMILES: CC/C=C\CC1=C(C(CC1=O)OC)CCCCC2CCC(=O)O2
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Product OPENEYE NAME: 1-[8-[6-[[3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CAS Name: 1-[8-[[6-[[3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
IUPAC NAME: 1-[8-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
SYSTEMATIC NAME: 1-[8-[6-[[4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-[(4-hydroxyphenyl)methyl]-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
MOLECULAR FORMULA: C29H37NO13
MOLECULAR WEIGHT: 607.60298
SMILES: CC(=O)N1CCC2=C(C1CC3=CC=C(C=C3)O)C(=C(C=C2)O)OC4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O
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Product OPENEYE NAME: 7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-te
CAS Name: 7-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-5-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-2-oxanyl]oxy]-5,6-dimethoxy-3-(4-m
IUPAC NAME: 7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-5,6-dimethoxy-3-(4-metho
SYSTEMATIC NAME: 5,6-dimethoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-b
MOLECULAR FORMULA: C42H56O24
MOLECULAR WEIGHT: 944.87964
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)OC4=C(C(=C5C(=C4)OC=C(C5=O)C6=CC=C(C=C6)OC)OC)OC)CO[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O)O)O)O)O
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Product OPENEYE NAME: 2-[2-[1-[2-[4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-1-methyl-allyloxy]-5-hydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyl-tetra
CAS Name: 2-[[2-[5-[4-[[4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-2-oxanyl]oxy]-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-5-hydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-4-oxanyl]o
IUPAC NAME: 2-[2-[5-[4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-5-hydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl]oxy-6-me
SYSTEMATIC NAME: 2-[2-[5-[1,2,4a,5-tetramethyl-4-[6-methyl-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pent-1-en-3-yl]oxy-6-methyl-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxa
MOLECULAR FORMULA: C50H84O22
MOLECULAR WEIGHT: 1037.18876
SMILES: CC1CC(C2(C(C1(C)CCC(C)(C=C)OC3C(C(C(C(O3)C)O)OC4C(C(C(C(O4)C)O)O)O)OC5C(C(C(C(O5)C)O)O)O)CCC=C2C)C)OC6C(C(C(C(O6)C)O)O)OC7C(C(C(C(O7)C)O)O)O
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Product OPENEYE NAME: 2-[6-[1-[2-[4-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-1-methyl-allyloxy]-4,5-dihydroxy-2-methyl-tetrahydropyran-3-yl]o
CAS Name: 2-[[6-[5-[4-[[3,4-dihydroxy-6-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-4,5-dihydroxy-2-methyl-3-oxanyl]oxy]-6-methyloxane-3,4,5-triol
IUPAC NAME: 2-[6-[5-[4-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-1-en-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
SYSTEMATIC NAME: 2-[6-[5-[4-[5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methyl-pent-1-en-3-yl]oxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5
MOLECULAR FORMULA: C44H74O19
MOLECULAR WEIGHT: 907.04696
SMILES: CC1CC(C2(C(C1(C)CCC(C)(C=C)OC3C(C(C(C(O3)C)OC4C(C(C(C(O4)C)O)O)O)O)O)CCC=C2C)C)OC5C(C(C(C(O5)C)OC6C(C(C(C(O6)CO)O)O)O)O)O
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Product OPENEYE NAME: 3-(4-hydroxyphenyl)-7-methoxy-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
CAS Name: 3-(4-hydroxyphenyl)-7-methoxy-5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
IUPAC NAME: 3-(4-hydroxyphenyl)-7-methoxy-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 5-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(4-hydroxyphenyl)-7-methoxy-chromen-4-one
MOLECULAR FORMULA: C22H22O10
MOLECULAR WEIGHT: 446.40408
SMILES: COC1=CC(=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
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MOLECULAR FORMULA: C21H26O8
MOLECULAR WEIGHT: 406.42634
SMILES: CC12CCC3C(=O)OC(CC3(C1CCC4C2(O4)C(=O)OC)C)C5=CC(=O)OC5O
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MOLECULAR FORMULA: C20H27NO11
MOLECULAR WEIGHT: 457.42848
SMILES: CC(C1C(=O)OC2N1C(=O)C3=COC(C(C3C2)C=C)OC4C(C(C(C(O4)CO)O)O)O)O
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MOLECULAR FORMULA: C27H30N2O10
MOLECULAR WEIGHT: 542.5345
SMILES: C=CC1C2CC3C4=C(CC(N3C(=O)C2=COC1OC5C(C(C(C(O5)CO)O)O)O)C(=O)O)C6=CC=CC=C6N4
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Product OPENEYE NAME: [(2S,3S,4R,5R,6R)-4,5-diacetoxy-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[(2E,6E,10E,13E)-15-hydroxy-3,7,11,15-tetramethyl-hexadeca-2,6,10,13-tetraenoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]-2-me
CAS Name: acetic acid [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[(2E,6E,10E,13E)-15-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,13-tetraenoxy]-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]methoxy]-2-methyl-3-ox
IUPAC NAME: [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[(2E,6E,10E,13E)-15-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,13-tetraenoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-2-methyloxan-3-yl] acetate
SYSTEMATIC NAME: [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)-6-[(2E,6E,10E,13E)-3,7,11,15-tetramethyl-15-oxidanyl-hexadeca-2,6,10,13-tetraenoxy]oxan-2-yl]methoxy]oxan-3-yl
MOLECULAR FORMULA: C44H70O18
MOLECULAR WEIGHT: 887.0158
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C/C=C/C(C)(C)O)CO[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)OC(=O)C)OC(=O)C)OC(=O)C)O)O)O)O
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Product OPENEYE NAME: [(2S,3S,4R,5R,6R)-4,5-diacetoxy-6-[[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5S,6S)-4-acetoxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-[(2E,6E,10E,13E)-15-hydroxy-3,7,11,15-tetramethyl-hexadeca-2,6,10,13-tetraenoxy]tetrahydropyran-2-yl]methoxy
CAS Name: acetic acid [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-4-[[(2S,3R,4R,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-3,5-dihydroxy-6-[(2E,6E,10E,13E)-15-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,13-tetraenoxy]-2-oxanyl]methoxy]-2-me
IUPAC NAME: [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-[(2E,6E,10E,13E)-15-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,13-tetraenoxy]oxan-2-yl]methoxy]-2-methyloxan-3-yl]
SYSTEMATIC NAME: [(2S,3S,4R,5R,6R)-4,5-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5S,6S)-4-acetyloxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)-6-[(2E,6E,10E,13E)-3,7,11,15-tetramethyl-15-oxidanyl-hexadeca-2,6,10,13-tetraenoxy]oxan-2-yl]methoxy]-2-methyl
MOLECULAR FORMULA: C46H72O19
MOLECULAR WEIGHT: 929.05248
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C/C=C/C(C)(C)O)CO[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)OC(=O)C)OC(=O)C)OC(=O)C)O)O)OC(=O)C)O
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Product OPENEYE NAME: [(2S,3S,4R,5R)-4,5-diacetoxy-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]-2-methyl-tetrahydropyra
CAS Name: acetic acid [(2S,3S,4R,5R)-4,5-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]methoxy]-2-methyl-3-oxanyl] ester
IUPAC NAME: [(2S,3S,4R,5R)-4,5-diacetyloxy-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-2-methyloxan-3-yl] acetate
SYSTEMATIC NAME: [(2S,3S,4R,5R)-4,5-diacetyloxy-2-methyl-6-[[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]oxan-2-yl]methoxy]oxan-3-yl] ethanoate
MOLECULAR FORMULA: C44H70O17
MOLECULAR WEIGHT: 871.0164
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)COC3[C@@H]([C@@H]([C@H]([C@@H](O3)C)OC(=O)C)OC(=O)C)OC(=O)C)O)O)O)O
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Product OPENEYE NAME: 3,9-dihydroxy-5,7,7-trimethyl-3,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1-one
CAS Name: 3,9-dihydroxy-5,7,7-trimethyl-3,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1-one
IUPAC NAME: 3,9-dihydroxy-5,7,7-trimethyl-3,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1-one
SYSTEMATIC NAME: 5,7,7-trimethyl-3,9-bis(oxidanyl)-3,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1-one
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: CC1=CC2=C(C(C3C1CC(C3)(C)C)O)C(=O)OC2O
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Product OPENEYE NAME: 2-[[6-[[6-[1-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5
CAS Name: 2-[[6-[[6-[1-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)ethoxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC NAME: 2-[[6-[[6-[1-(3,14-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)ethoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-[[6-[[6-[1-[10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C39H64O18
MOLECULAR WEIGHT: 820.91466
SMILES: CC(C1CCC2(C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O
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Product OPENEYE NAME: [17-acetyl-14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phen
CAS Name: (E)-2-methyl-2-butenoic acid [17-acetyl-14-hydroxy-3-[[4-methoxy-6-methyl-5-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-2-oxanyl]oxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phena
IUPAC NAME: [17-acetyl-14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] (E)-2-methylbut-2-e
SYSTEMATIC NAME: [17-ethanoyl-3-[5-[6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] (E)-2-m
MOLECULAR FORMULA: C45H70O18
MOLECULAR WEIGHT: 899.0265
SMILES: C/C=C(\C)/C(=O)OC1CC2C(CC=C3C2(CCC(C3)OC4CC(C(C(O4)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)OC)C)C7(C1(C(CC7)C(=O)C)C)O
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Product OPENEYE NAME: [5-hydroxy-6-[6-[[14-hydroxy-10,13-dimethyl-17-[1-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxyethyl]-1,2,3,4,7,8,9,11,12,15,16,17-dodeca
CAS Name: (E)-2-methyl-2-butenoic acid [5-hydroxy-6-[[6-[[14-hydroxy-10,13-dimethyl-17-[1-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxymethyl]-2-oxanyl]oxy]ethyl]-1,2,3,4,7,8,9,11,12,15,16,17-dodecah
IUPAC NAME: [5-hydroxy-6-[6-[[14-hydroxy-10,13-dimethyl-17-[1-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-y
SYSTEMATIC NAME: [6-[6-[[17-[1-[6-[[6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethyl]-10,13-dimethyl-14-oxidanyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-
MOLECULAR FORMULA: C58H94O26
MOLECULAR WEIGHT: 1207.35136
SMILES: C/C=C(\C)/C(=O)OC1C(OC(C(C1OC)O)OC2C(OC(CC2OC)OC3CCC4(C5CCC6(C(CCC6(C5CC=C4C3)O)C(C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)O)O)C)C)C)C
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Product OPENEYE NAME: [5-hydroxy-6-[6-[[14-hydroxy-10,13-dimethyl-17-[1-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxyethyl]-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-
CAS Name: (E)-2-methyl-2-butenoic acid [5-hydroxy-6-[[6-[[14-hydroxy-10,13-dimethyl-17-[1-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]ethyl]-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-
IUPAC NAME: [5-hydroxy-6-[6-[[14-hydroxy-10,13-dimethyl-17-[1-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethyl]-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-4-
SYSTEMATIC NAME: [6-[6-[[17-[1-[6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethyl]-10,13-dimethyl-14-oxidanyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-oxan-3-yl]oxy-4-
MOLECULAR FORMULA: C52H84O21
MOLECULAR WEIGHT: 1045.21076
SMILES: C/C=C(\C)/C(=O)OC1C(OC(C(C1OC)O)OC2C(OC(CC2OC)OC3CCC4(C5CCC6(C(CCC6(C5CC=C4C3)O)C(C)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O)C)C)C)C
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Product OPENEYE NAME: [17-acetyl-14-hydroxy-3-[5-[5-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3
CAS Name: (E)-2-methyl-2-butenoic acid [17-acetyl-14-hydroxy-3-[[5-[[5-[[3-hydroxy-4-methoxy-6-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-1,2,3,4,7,8,9,1
IUPAC NAME: [17-acetyl-14-hydroxy-3-[5-[5-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a
SYSTEMATIC NAME: [17-ethanoyl-3-[5-[5-[5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-14-oxidanyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydroc
MOLECULAR FORMULA: C53H84O20
MOLECULAR WEIGHT: 1041.22206
SMILES: C/C=C(\C)/C(=O)OC1CC2C(CC=C3C2(CCC(C3)OC4CC(C(C(O4)C)OC5CC(C(C(O5)C)OC6C(C(C(C(O6)C)OC7C(C(C(C(O7)CO)O)O)O)OC)O)OC)OC)C)C8(C1(C(CC8)C(=O)C)C)O
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Product OPENEYE NAME: 6-(2,3-dihydroxy-1-methoxy-3-methyl-butyl)-7-methoxy-chromen-2-one
CAS Name: 6-(2,3-dihydroxy-1-methoxy-3-methylbutyl)-7-methoxy-1-benzopyran-2-one
IUPAC NAME: 6-(2,3-dihydroxy-1-methoxy-3-methylbutyl)-7-methoxychromen-2-one
SYSTEMATIC NAME: 7-methoxy-6-[1-methoxy-3-methyl-2,3-bis(oxidanyl)butyl]chromen-2-one
MOLECULAR FORMULA: C16H20O6
MOLECULAR WEIGHT: 308.3264
SMILES: CC(C)(C(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)OC)O)O
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Product OPENEYE NAME: 6-[2,3-dihydroxy-3-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-butyl]-7-methoxy-chromen-2-one
CAS Name: 6-[2,3-dihydroxy-3-methyl-1-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]butyl]-7-methoxy-1-benzopyran-2-one
IUPAC NAME: 6-[2,3-dihydroxy-3-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-7-methoxychromen-2-one
SYSTEMATIC NAME: 6-[1-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-2,3-bis(oxidanyl)butyl]-7-methoxy-chromen-2-one
MOLECULAR FORMULA: C21H28O11
MOLECULAR WEIGHT: 456.44042
SMILES: CC(C)(C(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
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Product OPENEYE NAME: [(1S,4aS,5R,7S)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid [(1S,4aS,5R,7S)-4a,5-dihydroxy-7-methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] ester
IUPAC NAME: [(1S,4aS,5R,7S)-4a,5-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(1S,4aS,5R,7S)-1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-4a,5-bis(oxidanyl)-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C25H32O13
MOLECULAR WEIGHT: 540.51378
SMILES: C[C@@]1(C[C@H]([C@]2(C1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)OC(=O)/C=C/C4=CC(=C(C=C4)O)OC
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Product OPENEYE NAME: (5E)-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2-methyl-5-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyethylidene]cyclopentene-1-carboxylic acid
CAS Name: (5E)-4-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-2-methyl-5-[2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]ethylidene]-1-cyclopentenecarboxylic acid
IUPAC NAME: (5E)-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2-methyl-5-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylidene]cyclopentene-1-carboxylic acid
SYSTEMATIC NAME: (5E)-5-[2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethylidene]-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2-methyl-cyclopentene-1-carboxylic acid
MOLECULAR FORMULA: C24H28O11
MOLECULAR WEIGHT: 492.47252
SMILES: CC1=C(/C(=C\CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C(C1)OC(=O)/C=C/C3=CC=C(C=C3)O)C(=O)O
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