2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium, Cyanidin 3-O- galactopyranoside, 矢车菊素-3-O-α-L-半乳糖苷
HIT218697817
sdf文件结构编辑类似物检索
HIT ID: HIT218697817
Cas No: 142506-26-1
分子式: C21H21O11
分子量: 449.387
常用名: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium, Cyanidin 3-O- galactopyranoside, 矢车菊素-3-O-α-L-半乳糖苷
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium
SMILES: OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O
InChI key: RKWHWFONKJEUEF-WVXKDWSHSA-O
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