chebuloside I

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: chebuloside I
• 英文别名: [(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• 化学式: C₃₆H₅₈O₁₀
• 分子量: 650.851
• InChiKey: CJHYKSSBQRABTM-FAGYQYCCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  46
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  chebuloside I 在 氢氧化钾 作用下， 反应 3.0h， 以65 mg的产率得到阿江榄仁酸
  参考文献：
  名称：

  Triterpenoids and their glycosides from Terminalia chebula

  摘要：

  Two new triterpenoid glycosides, chebuloside I and II were isolated from the stem bark of Terminalia chebula and shown to be beta-D-galactopyranosyl 2alpha,3beta,23-trihydroxyolean-12-en-28-oate and beta-D-glucopyranosyl 2alpha,3beta,6beta,23-tetrahydroxyolean-12-en-28-oate, respectively, based on their spectral data and some chemical transformations.

  DOI：

  10.1016/0031-9422(93)85243-k

文献信息

• Triterpenoids and their glycosides from Terminalia chebula
  作者：Asish P. Kundu、Shashi B. Mahato

  DOI：10.1016/0031-9422(93)85243-k

  日期：1993.3

  Two new triterpenoid glycosides, chebuloside I and II were isolated from the stem bark of Terminalia chebula and shown to be beta-D-galactopyranosyl 2alpha,3beta,23-trihydroxyolean-12-en-28-oate and beta-D-glucopyranosyl 2alpha,3beta,6beta,23-tetrahydroxyolean-12-en-28-oate, respectively, based on their spectral data and some chemical transformations.