HIT ID: HIT212658569
Cas No: 16409-34-0
分子式: C26H42NNaO5
分子量: 471.614
常用名: Glycodeoxycholate Sodium
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 2.685976
IUPAC: sodium 2-(4-{7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanamido)acetate
IUPAC: sodium 2-(4-{7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanamido)acetate
SMILES: [Na+].CC(CCC(=O)NCC([O-])=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
SMILES: [Na+].CC(CCC(=O)NCC([O-])=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
InChI key: VMSNAUAEKXEYGP-UHFFFAOYSA-M
