HIT ID: HIT100622329

Cas No: 154-61-0

分子式: C20H28O13

分子量: 476.431

常用名: Primulaverin

氢键受体数 (HBA): 12

氢键供体数 (HBD): 6

LogP: -1.893

IUPAC: methyl 5-methoxy-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}benzoate

SMILES: COC(=O)c1cc(OC)ccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

InChI key: CDWVFJJMYKSVHM-HSMQXHTESA-N