Secologanin
HIT100919122
sdf文件结构编辑类似物检索
HIT ID: HIT100919122
Cas No: 19351-63-4
分子式: C17H24O10
分子量: 388.369
常用名: Secologanin
氢键受体数 (HBA): 9
氢键供体数 (HBD): 4
LogP: -1.69
IUPAC: methyl (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
IUPAC: methyl (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
SMILES: COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1CC=O |t:4|
SMILES: COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1CC=O |t:4|
InChI key: CSKKDSFETGLMSB-NRZPKYKESA-N
共显示3个结果
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SC
32893-4周 购物车
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Mcule
SC
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