HIT ID: HIT218832781

Cas No:

分子式: C22H22O13

分子量: 494.405

常用名: 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one, Quercetagetin 3-methyl ether 7-glucoside

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-methoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

SMILES: COc1c(oc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)c(O)c2c1=O)-c1ccc(O)c(O)c1

InChI key: ACXKZFDCISQHGW-UHFFFAOYSA-N