Name: Cyanidin-3-O-(6''-malonylglucoside) chloride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214313386
Cas No:171828-62-9
常用名:Cyanidin-3-O-(6''-malonylglucoside) chloride
常用名:Cyanidin-3-O-(6''-malonylglucoside) chloride
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
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
InChI key:ROQLTZUOXIQBDO-JZWLZXDTSA-O

分子式:C24H23O14
分子量:535.433
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES: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
SMILES: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

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