Purshianin
HIT212525482
sdf文件结构编辑类似物检索
HIT ID: HIT212525482
Cas No: 162990-70-7
分子式: C14H19NO7
分子量: 313.306
常用名: Purshianin
氢键受体数 (HBA): 8
氢键供体数 (HBD): 5
LogP: -2.41
IUPAC: 2-[(1E,4S,6S)-4-hydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene]acetonitrile
IUPAC: 2-[(1E,4S,6S)-4-hydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene]acetonitrile
SMILES: OC[C@H]1O[C@@H](O[C@H]2C[C@H](O)C=C\C2=C/C#N)[C@H](O)[C@@H](O)[C@@H]1O |c:10|
SMILES: OC[C@H]1O[C@@H](O[C@H]2C[C@H](O)C=C\C2=C/C#N)[C@H](O)[C@@H](O)[C@@H]1O |c:10|
InChI key: UTHVFIKQCUKKQW-CGAAFMNDSA-N
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