28-O-β-D-Glucopyranosyl pomolic acid
HIT212665823
sdf文件结构编辑类似物检索
HIT ID: HIT212665823
Cas No: 83725-24-0
分子式: C36H58O9
分子量: 634.851
常用名: 28-O-β-D-Glucopyranosyl pomolic acid
常用名: 28-O-β-D-Glucopyranosyl pomolic acid
氢键受体数 (HBA): 8
氢键供体数 (HBD): 6
LogP: 3.0764837
IUPAC: (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
IUPAC: (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)CC[C@H](O)C2(C)C |t:9|
SMILES: [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@](C)(O)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]1(C)CC[C@H](O)C2(C)C |t:9|
InChI key: RRIMLWHUVCZACL-HPUCWRFUSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
51807日内发货 购物车
AnyMole
SC
1350 购物车
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