Name: Platicodigenin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315458
Cas No:22327-82-8
常用名:Platicodigenin
别名:桔梗皂苷元, Platycodigenin
IUPAC:(4aR,5R,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-5,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-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)-5,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-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:APTNOIWSCDBIAS-PCHRGASXSA-N

分子式:C30H48O7
分子量:520.707
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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(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(CO)(CO)[C@]3([H])CC[C@@]12C)C(O)=O |t:16|

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