3-O-<β-D-glucopyranosyl(1<*>2)-β-D-glucopyranosyl> (20S,24S)-9β,19-cyclolanostan-3β,16β,20,24,25-pentaol | 138935-91-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 3-O-<β-D-glucopyranosyl(1<*>2)-β-D-glucopyranosyl> (20S,24S)-9β,19-cyclolanostan-3β,16β,20,24,25-pentaol
• 英文别名: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(1S,3R,6S,8R,11S,12S,14S,15R,16R)-14-hydroxy-7,7,12,16-tetramethyl-15-[(2S,5S)-2,5,6-trihydroxy-6-methylheptan-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 138935-91-8
• 化学式: C₄₂H₇₂O₁₅
• 分子量: 817.025
• InChiKey: CGCTVTOHSPHPNF-PZMSGIMXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  57
• 可旋转键数：
  11
• 环数：
  7.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  259
• 氢给体数：
  11
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  3-O-<β-D-glucopyranosyl(1<*>2)-β-D-glucopyranosyl> (20S,24S)-9β,19-cyclolanostan-3β,16β,20,24,25-pentaol 在 盐酸 作用下， 生成 (20R,24S)-20,24-epoxy-9β,19-cyclolanostan-3β,16β,25-triol
  参考文献：
  名称：

  A triterpenoid saponin from Oxytropis bicolor

  摘要：

  A new triterpenoid saponin of cyclopropane type was isolated from the alcoholic extracts of the aerial parts of Oxytropis bicolor. Its structure was established on the basis of spectral and chemical evidence.

  DOI：

  10.1016/0031-9422(91)83239-h