(1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol; [(2R,3R,4R,5S,6R)-3,5-bis(oxidanyl)-4,6-bis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate; 2-(methylamino)ethanoic acid

Systemtic Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol; [(2R,3R,4R,5S,6R)-3,5-bis(oxidanyl)-4,6-bis[[3,4,5-tris(oxidanyl)phenyl]carbonyloxy]oxan-2-yl]methyl 3,4,5-tris(oxidanyl)benzoate; 2-(methylamino)ethanoic acid Openeye Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol; [(2R,3R,4R,5S,6R)-3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate; 2-(methylamino)acetic acid CAS Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol; 2-(methylamino)acetic acid; 3,4,5-trihydroxybenzoic acid [(2R,3R,4R,5S,6R)-3,5-dihydroxy-4,6-bis[oxo-(3,4,5-trihydroxyphenyl)methoxy]-2-oxanyl]methyl ester IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol; [(2R,3R,4R,5S,6R)-3,5-dihydroxy-4,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate; 2-(methylamino)acetic acid Traditional Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol; 2-(methylamino)acetic acid; 3,4,5-trihydroxybenzoic acid [(2R,3R,4R,5S,6R)-4,6-digalloyloxy-3,5-dihydroxy-tetrahydropyran-2-yl]methyl ester Formula: C57H75NO23 MolecularWeight: 1142.1983

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C.CNCC(=O)O.C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O

Isomeric SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C.CNCC(=O)O.C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O

InChI

InChI=1S/C27H24O18.C27H44O3.C3H7NO2/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-21(37)23(44-25(40)9-3-13(30)19(35)14(31)4-9)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10;1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2;1-4-2-3(5)6/h1-6,17,21-23,27-38H,7H2;10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3;4H,2H2,1H3,(H,5,6)/b;20-10+,21-11-;/t17-,21-,22+,23-,27-;18-,22-,23-,24?,25+,27-;/m11./s1