2''-(β-D-glucopyranosyloxy)benzyl 2-hydroxy-6-{{3-O-[(2S)-2-methylbutanoyl]-β-D-glucopyranosyl}oxy}benzoate | 1220533-70-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 糖脂
• 英文名称: 2''-(β-D-glucopyranosyloxy)benzyl 2-hydroxy-6-{{3-O-[(2S)-2-methylbutanoyl]-β-D-glucopyranosyl}oxy}benzoate
• 英文别名: 3'-O-[(2S)-2-methylbutanoyl]henryoside；2-{{{2-[(β-D-glucopyranosyl)oxy]phenyl}methoxy}carbonyl}-3-hydroxyphenyl β-D-glucopyranoside 3-[(2S)-2-methylbutanoate]；[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 2-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S)-2-methylbutanoyl]oxyoxan-2-yl]oxy-6-hydroxybenzoate
• CAS: 1220533-70-9
• 化学式: C₃₁H₄₀O₁₆
• 分子量: 668.649
• InChiKey: DTTLUGPFGDKIJV-VWMLRMILSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  47
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  251
• 氢给体数：
  8
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  2''-(β-D-glucopyranosyloxy)benzyl 2-hydroxy-6-{{3-O-[(2S)-2-methylbutanoyl]-β-D-glucopyranosyl}oxy}benzoate 在 氢氧化钾 、 水 作用下， 反应 1.5h， 生成 (S)-(+)-2-甲基丁酸
  参考文献：
  名称：

  Three New Glycosides fromViburnum plicatumThunb. var.tomentosumMiq.

  摘要：

  AbstractThree new glycosides, 7‐O‐tigloylsecologanol (1), 7‐O‐tigloylsecologanolic acid (2), and 3′‐O‐[(2S)‐2‐methylbutanoyl]henryoside (3), together with seven known ones, were isolated from the leaves of Viburnum plicatum Thunb. var. tomentosum Miq. Their structures were established on the basis of spectral and chemical data.

  DOI：

  10.1002/hlca.200900232

文献信息

• Three New Glycosides from<i>Viburnum plicatum</i>Thunb. var.<i>tomentosum</i>Miq.
  作者：Koichi Machida、Hitomi Sagawa、Rie Onoguchi、Masao Kikuchi

  DOI：10.1002/hlca.200900232

  日期：2010.2

  AbstractThree new glycosides, 7‐O‐tigloylsecologanol (1), 7‐O‐tigloylsecologanolic acid (2), and 3′‐O‐[(2S)‐2‐methylbutanoyl]henryoside (3), together with seven known ones, were isolated from the leaves of Viburnum plicatum Thunb. var. tomentosum Miq. Their structures were established on the basis of spectral and chemical data.