dipsacus saponin J | 1381887-10-0

• 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: dipsacus saponin J
• 英文别名: 3-O-β-D-glucopyranosyl-(1->4)-[α-L-rhamnopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->2)-α-L-arabinopyranosyl-hederagenin-28-O-β-D-glucopyranoside
• CAS: 1381887-10-0
• 化学式: C₆₅H₁₀₆O₃₁
• 分子量: 1383.54
• InChiKey: HWTWSCACLRMURL-NIDQYOORSA-N

物化性质

• 密度：
  1.53±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -4.72
• 重原子数：
  96.0
• 可旋转键数：
  16.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  491.97
• 氢给体数：
  18.0
• 氢受体数：
  31.0

反应信息

• 作为反应物：
  描述：

  dipsacus saponin J 在 三氟乙酸 作用下， 反应 6.0h， 生成 L-阿拉伯糖 、 6-脱氧-D-葡萄糖 、 葡萄糖
  参考文献：
  名称：

  Triterpenoid saponins fromDipsacus asperand their activitiesin vitro

  摘要：

  Two new triterpenoid saponins 1 and 2, along with six known saponins 3-8, were isolated from the roots of Dipsacus asper. The structures of new compounds were established as 3-O-beta-D-glucopyranosyl-(1 -> 4)-[alpha-L-rhamnopyranosyl-(1 -> 3)]-beta-D-glucopyranosyl-(1 -> 3)-alpha-L-rhamnopyranosyl-(1 -> 2)-alpha-L-arabinopyranosyl-hederagenin-28-O-beta-D-glucopyranoside (dipsacus saponin J, 1) and 3-O-alpha-L-arabinopyranosyl-hederagenin-28-O-beta-D-glucopyranosyl-(1 -> 6)-beta-D-glucopyranosyl-(1 -> 6)-beta-D-glucopyranoside (dipsacus saponin K, 2). The structures were determined by extensive analysis of their spectroscopic data. Compounds 6 and 7 could significantly stimulate UMR106 cell proliferation and increase alkaline phosphatase activities in UMR106 cell at the concentration of 4 mu M.

  DOI：

  10.1080/10286020.2011.598858