Esculentoside S
HIT212521967
sdf文件结构编辑类似物检索
HIT ID: HIT212521967
Cas No: 156031-83-3
分子式: C42H66O16
分子量: 826.974
常用名: Esculentoside S
氢键受体数 (HBA): 14
氢键供体数 (HBD): 9
LogP: 0.168
IUPAC: 2-methyl 4a-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,4aR,6aS,6bR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2,4a-dicarboxylate
IUPAC: 2-methyl 4a-(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,4aR,6aS,6bR,9R,10R,11S,12aR,14bS)-11-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-10-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2,4a-dicarboxylate
SMILES: [H][C@@]12C[C@](C)(CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)C[C@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@](C)(CO)C3CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC |t:14|
SMILES: [H][C@@]12C[C@](C)(CC[C@@]1(CC[C@]1(C)C2=CCC2[C@@]3(C)C[C@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@](C)(CO)C3CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC |t:14|
InChI key: XPZGXZBKRPZWMJ-NSUQAVABSA-N
共显示3个结果
供应商规格单价货期纯度操作
TargetMol
SC
45605日内发货 购物车
Analyticon
SC
32893-4周 购物车
Mcule
SC
50204-5周 购物车
TargetMol | Target Loading
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