Name: Platycogenin A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317340
Cas No:1459719-53-9
常用名:Platycogenin A
IUPAC:(3S,4aR,5S,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-3,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-5,10-bis({[(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:(3S,4aR,5S,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-3,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-5,10-bis({[(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:IRXSNGAQRPMOKM-ARKMTHDCSA-N

分子式:C42H68O16
分子量:828.99
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC(C)(C)[C@@H](O)C[C@@]1([C@H](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(C)(C)[C@]3([H])CC[C@@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O |t:16|
SMILES:[H][C@@]12CC(C)(C)[C@@H](O)C[C@@]1([C@H](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(C)(C)[C@]3([H])CC[C@@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)=O |t:16|

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