HIT ID: HIT218701042

Cas No:

分子式: C26H43NO5

分子量: 453.656

常用名: [(4R)-4-[(1R,3aS,3bR,4S,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-dodecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetic acid, Glycoursodeoxycholic Acid-d4

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 2-[(4R)-4-[(1R,3aS,3bR,4S,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetic acid

SMILES: [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC(O)=O

InChI key: GHCZAUBVMUEKKP-ODDJOPSVSA-N