HIT ID: HIT101459428

Cas No: 95753-52-9

分子式: C21H18O13

分子量: 478.362

常用名: 3,5-Di-O-galloylshikimic acid

氢键受体数 (HBA): 11

氢键供体数 (HBD): 8

LogP: 1.529

IUPAC: (3R,4S,5R)-4-hydroxy-3,5-bis(3,4,5-trihydroxybenzoyloxy)cyclohex-1-ene-1-carboxylic acid

SMILES: O[C@H]1[C@@H](CC(=C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)C(O)=O)OC(=O)c1cc(O)c(O)c(O)c1 |c:4|

InChI key: GASRJYBPBZZTBO-IIDMSEBBSA-N