Tangshenoside I
HIT213884964
sdf文件结构编辑类似物检索
HIT ID: HIT213884964
Cas No: 117278-74-7
分子式: C29H42O18
分子量: 678.637
常用名: Tangshenoside I
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (3S)-5-{[(2E)-3-(3,5-dimethoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}-3-methyl-5-oxo-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanoic acid
IUPAC: (3S)-5-{[(2E)-3-(3,5-dimethoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}-3-methyl-5-oxo-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanoic acid
SMILES: COc1cc(\C=C\COC(=O)C[C@](C)(CC(O)=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
SMILES: COc1cc(\C=C\COC(=O)C[C@](C)(CC(O)=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI key: ABKPQICIFGNRAA-FPFGLZQYSA-N
共显示3个结果
供应商规格单价货期纯度操作
TargetMol
SC
18305日内发货 购物车
Mcule
SC
25804-5周 购物车
Mcule
SC
52084-5周 购物车
TargetMol | Target Loading
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