HIT ID: HIT218683192

Cas No: 94977-38-5

分子式: C24H23ClO14

分子量: 570.88

常用名: 3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium chloride, Cyanidin 3-(6''-malonylglucoside)

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: 3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium chloride

SMILES: [Cl-].O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O

InChI key: QCMBMEJGXIGLBJ-CVOPIXFLSA-N