Name: Manghaslin
Rating: 5 (10 reviews)

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HIT ID:HIT102024812
Cas No:55696-57-6
常用名:Manghaslin
别名:槲皮素-3-O-芸香糖-(1→2)-O-鼠李糖苷, Quercetin 3-O-rutinoside-(1->2)-O-rhamnoside
别名:槲皮素-3-O-芸香糖-(1→2)-O-鼠李糖苷, Quercetin 3-O-rutinoside-(1->2)-O-rhamnoside
IUPAC:3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
IUPAC:3-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
InChI key:HKNBJSRIYRDSLB-MAWNCODISA-N

分子式:C33H40O20
分子量:756.663
氢键供体数 (HBD):12
氢键受体数 (HBA):20
LogP:-1.593
SMILES:C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
SMILES:C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)cc(O)c4c3=O)-c3ccc(O)c(O)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

Manghaslin (Quercetin 3-O-rutinoside-(1->2)-O-rhamnoside) 是具有抗炎活性的黄酮苷，对 AChE 具有抑制活性，IC50=94.92 µM。

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