HCID9952610

3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4-methylthiophenyl)methyl]-1H-pyrazole

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[5-methyl-4-[(4-methylsulfanylphenyl)methyl]-1H-pyrazol-3-yl]oxy]oxane-3,4,5-triol

C18H24N2O6S396.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CSc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n[nH]c2C)cc1
InChIKey: YDUBQUANDNHHKO-QFXBJFAPSA-N
分子式: C18H24N2O6S
平均分子量: 396.5 g/mol
单同位素质量: 396.13550766

COMPUTED

结构计算性质

已同步

XLogP: 1.2
极性表面积: 153 Å²
氢键供体: 5
氢键受体: 8
可旋转键: 6
重原子: 27
形式电荷: 0
复杂度: 467

ALIASES

名称与别名

共 6 条

CHEMBL3908950SCHEMBL2252428YDUBQUANDNHHKO-QFXBJFAPSA-NBDBM505595383- (beta-D-glucopyranosyloxy) -5-methyl-4-[(4-methylthiophenyl)methyl]-1H-pyrazole3-(beta-D-glucopyranosyloxy)-5-methyl-4-[(4-methylthiophenyl)methyl]-1H-pyrazole

REACTIONS