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
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|
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
