Summary

Molecular formula: C38H60O9
SMILES: OC[C@H]1O[C@@H](OC(=O)[C@@H]([C@H]2CC[C@@]3([C@]2(C)CCC2=C3CC[C@@H]3[C@]2(C)CC[C@H](C3(C)C)OC(=O)C)C)CCC=C(C)C)[C@@H]([C@H]([C@@H]1O)O)O
InChI: InChI=1S/C38H60O9/c1-21(2)10-9-11-23(33(44)47-34-32(43)31(42)30(41)27(20-39)46-34)24-14-18-38(8)26-12-13-28-35(4,5)29(45-22(3)40)16-17-36(28,6)25(26)15-19-37(24,38)7/h10,23-24,27-32,34,39,41-43H,9,11-20H2,1-8H3/t23-,24-,27-,28+,29-,30-,31+,32-,34+,36-,37-,38+/m1/s1
InChIKey: LVGXQNCCBAHXHL-RZAPKCPPSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CC1CCC2C3=C(CCC12)C1CCCCC1CC3)OC1CCCCO1

Scaffold Graph/Node level:
OC(CC1CCC2C1CCC1C3CCCCC3CCC12)OC1CCCCO1

Scaffold Graph level:
CC(CC1CCCCC1)CC1CCC2C1CCC1C3CCCCC3CCC12

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Chemical classification

Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules
Class: Prenol lipids
Sub class: Triterpenoids

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Synonymous chemical names:
tsugarioside a, tsugarioside a (3 a -acetoxy-5 a -lanosta-8,24-dien-21-oic acid ester b- d -glucoside)

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External chemical identifiers:
CID_10770638; NPATLAS_NPA014937; CHEMSPIDER_8945953; ZINC_ZINC000049850847

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Chemical structure download