Puerarin-4'-O-β-D-glucopyranoside
HIT212666635
sdf文件结构编辑类似物检索
HIT ID: HIT212666635
Cas No: 117047-08-2
分子式: C27H30O14
分子量: 578.523
常用名: Puerarin-4'-O-β-D-glucopyranoside
常用名: Puerarin-4'-O-β-D-glucopyranoside
氢键受体数 (HBA): 14
氢键供体数 (HBD): 9
LogP: -2.2949512
IUPAC: 7-hydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
IUPAC: 7-hydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3-(4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-4H-chromen-4-one
SMILES: OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2coc3c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)ccc3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
SMILES: OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2coc3c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)ccc3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
InChI key: GZFMKWZQYRIRBD-WIQAIWCDSA-N
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