HIT ID: HIT101208517

Cas No: 22688-79-5

分子式: C21H18O13

分子量: 478.362

常用名: Miquelianin

氢键受体数 (HBA): 13

氢键供体数 (HBD): 8

LogP: 0.175

IUPAC: (2S,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

SMILES: O[C@H]1[C@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI key: DUBCCGAQYVUYEU-ZUGPOPFOSA-N