3-O-[(6-O-isoferuloyl)-β-D-glucopyranosyl]-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-ribopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->2)-α-L-arabinopyranosylhederagenin 28-O-α-L-rhamnopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside

• 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: 3-O-[(6-O-isoferuloyl)-β-D-glucopyranosyl]-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-ribopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->2)-α-L-arabinopyranosylhederagenin 28-O-α-L-rhamnopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside
• 英文别名: clematochinenoside E
• 化学式: C₈₆H₁₃₂O₄₃
• 分子量: 1853.97
• InChiKey: VHCSZQUYNKUEQK-DJJFIAKLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -6.45
• 重原子数：
  129.0
• 可旋转键数：
  25.0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  665.57
• 氢给体数：
  23.0
• 氢受体数：
  43.0

反应信息

• 作为反应物：
  描述：

  3-O-[(6-O-isoferuloyl)-β-D-glucopyranosyl]-(1->4)-β-D-glucopyranosyl-(1->4)-β-D-ribopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->2)-α-L-arabinopyranosylhederagenin 28-O-α-L-rhamnopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside 在 三氟乙酸 作用下， 以 水 为溶剂， 反应 8.0h， 生成 3-羟基-4-甲氧基肉桂酸 、 常春藤皂苷元
  参考文献：
  名称：

  Triterpene Saponins from Clematis chinensis and Their Potential Anti-inflammatory Activity

  摘要：

  Seven new triterpene saponins, clematochinenosides A-G (1-7), together with 17 known saponins (8-24), were isolated from the roots and rhizomes of Clematis chinensis. Their structures were elucidated on the basis of spectroscopic evidence and hydrolysis products. Compounds 1, 3-7, and 20-24 showed inhibitory activities against COX-1 and COX-2 enzymes.

  DOI：

  10.1021/np100057y

文献信息

• Triterpene Saponins from <i>Clematis chinensis</i> and Their Potential Anti-inflammatory Activity
  作者：Qiang Fu、Ke Zan、Mingbo Zhao、Sixiang Zhou、Shepo Shi、Yong Jiang、Pengfei Tu

  DOI：10.1021/np100057y

  日期：2010.7.23

  Seven new triterpene saponins, clematochinenosides A-G (1-7), together with 17 known saponins (8-24), were isolated from the roots and rhizomes of Clematis chinensis. Their structures were elucidated on the basis of spectroscopic evidence and hydrolysis products. Compounds 1, 3-7, and 20-24 showed inhibitory activities against COX-1 and COX-2 enzymes.