Name: 3-O-beta-D-Glucopyranosylplatycodigenin
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212665171
Cas No:38337-25-6
常用名:3-O-beta-D-Glucopyranosylplatycodigenin
常用名:3-O-beta-D-Glucopyranosylplatycodigenin
IUPAC:(4aR,5R,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
IUPAC:(4aR,5R,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
InChI key:HPVWWHYNAAZHQR-KNSUCORESA-N

分子式:C36H58O12
分子量:682.848
氢键供体数 (HBD):9
氢键受体数 (HBA):12
LogP:-0.0432592
SMILES:[H][C@@]12CC(C)(C)CC[C@@]1([C@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(CO)(CO)[C@]3([H])CC[C@@]12C)C(O)=O |t:16|
SMILES:[H][C@@]12CC(C)(C)CC[C@@]1([C@H](O)C[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(CO)(CO)[C@]3([H])CC[C@@]12C)C(O)=O |t:16|

3-O-Beta-D-Glucopyranosylplatycodigenin 是分离自桔梗根的一种齐墩果烷型三萜类化合物。它具有抗 HSC-T6 细胞增殖活性，IC50为 13.36 μM。

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