Name: cis-Mulberroside A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212524998
Cas No:166734-06-1
常用名:cis-Mulberroside A
IUPAC:(2S,3R,4S,5S,6R)-2-{3-hydroxy-4-[(1Z)-2-(3-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
IUPAC:(2S,3R,4S,5S,6R)-2-{3-hydroxy-4-[(1Z)-2-(3-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI key:HPSWAEGGWLOOKT-GSNCJTLYSA-N

分子式:C26H32O14
分子量:568.528
氢键供体数 (HBD):10
氢键受体数 (HBA):14
LogP:-1.437
SMILES:OC[C@H]1O[C@@H](Oc2ccc(\C=C/c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
SMILES:OC[C@H]1O[C@@H](Oc2ccc(\C=C/c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O

cis-Mulberroside A shows high analgesic and anti-inflammatory activities, it can protect mice against ethanol-induced hepatic damage.

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