Acalyphin
HIT214318890
sdf文件结构编辑类似物检索
HIT ID: HIT214318890
Cas No: 81861-72-5
分子式: C14H20N2O9
分子量: 360.319
常用名: Acalyphin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S,3R)-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,6-tetrahydropyridine-3-carbonitrile
IUPAC: (2S,3R)-2-hydroxy-4-methoxy-1-methyl-6-oxo-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,6-tetrahydropyridine-3-carbonitrile
SMILES: COC1=CC(=O)N(C)[C@@H](O)[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N |t:2|
SMILES: COC1=CC(=O)N(C)[C@@H](O)[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N |t:2|
InChI key: QZRKNNXRNBTODR-JKTRLFLGSA-N
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