Rhaponticin 2′′-O-gallate | 土大黄苷 2''-O-没食子酸酯 | Rhaponticin 2''-O-gallate | CAS 94356-24-8 | AnyMol

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HIT212665859

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HIT212665859

HIT ID:HIT212665859
Cas No:94356-24-8
常用名:Rhaponticin 2′′-O-gallate
别名:土大黄苷 2''-O-没食子酸酯, Rhaponticin 2''-O-gallate
别名:土大黄苷 2''-O-没食子酸酯, Rhaponticin 2''-O-gallate
IUPAC:(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-{3-hydroxy-5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate
IUPAC:(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-{3-hydroxy-5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxan-3-yl 3,4,5-trihydroxybenzoate
InChI key:DBHYLGJAFYCFGS-XJVIDBJFSA-N

分子式:C28H28O13
分子量:572.519
氢键供体数 (HBD):8
氢键受体数 (HBA):12
LogP:2.5612555
SMILES:COc1ccc(\C=C\c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)c2)cc1O
SMILES:COc1ccc(\C=C\c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)c2)cc1O

Rhaponticin 2''-O-gallate showed inhibitory activity of NO production in lipopolysaccharide-activated macrophages, (IC50 = 11-69 microM).

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