HIT ID: HIT218832820
Cas No:
分子式: C30H48O10
分子量: 568.704
常用名: 6-{[1-(4-carboxybutan-2-yl)-4-hydroxy-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid, Chenodeoxycholic Acid 3-Glucuronide
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 6-{[1-(4-carboxybutan-2-yl)-4-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES: CC(CCC(O)=O)C1CCC2C3C(O)CC4CC(CCC4(C)C3CCC12C)OC1OC(C(O)C(O)C1O)C(O)=O
InChI key: GDNGOAUIUTXUES-UHFFFAOYSA-N