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