3-O-beta-D-Glucopyranosylplatycodigenin
HIT212665171
sdf文件结构编辑类似物检索
HIT ID: HIT212665171
Cas No: 38337-25-6
分子式: C36H58O12
分子量: 682.848
常用名: 3-O-beta-D-Glucopyranosylplatycodigenin
常用名: 3-O-beta-D-Glucopyranosylplatycodigenin
氢键受体数 (HBA): 12
氢键供体数 (HBD): 9
LogP: -0.0432592
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
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|
InChI key: HPVWWHYNAAZHQR-KNSUCORESA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
6161-3天 购物车
Mcule
SC
17224-5周 购物车
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