3-O-β-D-glucopyranosyl(1→2)-α-L-arabinopyranosylurs-12,18-diene-24,28-dioic acid 28-O-β-D-glucopyranosyl ester

• 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-β-D-glucopyranosyl(1→2)-α-L-arabinopyranosylurs-12,18-diene-24,28-dioic acid 28-O-β-D-glucopyranosyl ester
• 英文别名: ilexsaponin G
• 化学式: C₄₇H₇₂O₁₉
• 分子量: 941.077
• InChiKey: RBIZCFPBKAMSIB-OHSFZBLWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.24
• 重原子数：
  66.0
• 可旋转键数：
  9.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  312.05
• 氢给体数：
  11.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  3-O-β-D-glucopyranosyl(1→2)-α-L-arabinopyranosylurs-12,18-diene-24,28-dioic acid 28-O-β-D-glucopyranosyl ester 在 三氟乙酸 作用下， 以 水 为溶剂， 反应 2.0h， 生成 L-阿拉伯糖 、 葡萄糖
  参考文献：
  名称：

  Cytotoxic triterpenesaponins fromIlex pubescens

  摘要：

  Two new triterpenesaponins, ilexsaponins G and H (1 and 2), together with six known triterpenesaponins (3-8), were isolated from the roots of Ilex pubescens. Their structures were elucidated on the basis of spectroscopic evidence and hydrolysis products. Those compounds showed inhibitory activities against two human colorectal cancer cell lines HCT 116 and HT-29.

  DOI：

  10.1080/10286020.2014.920012

文献信息

• Cytotoxic triterpenesaponins from<i>Ilex pubescens</i>
  作者：Ling Li、Li-Shi Feng、Yu-Xin He

  DOI：10.1080/10286020.2014.920012

  日期：2014.8.3

  Two new triterpenesaponins, ilexsaponins G and H (1 and 2), together with six known triterpenesaponins (3-8), were isolated from the roots of Ilex pubescens. Their structures were elucidated on the basis of spectroscopic evidence and hydrolysis products. Those compounds showed inhibitory activities against two human colorectal cancer cell lines HCT 116 and HT-29.