3-O-β-D-xylopyranosyl-(1-->2)-O-β-D-glucuronopyranosyl-29-hydroxyoleanolic acid-28-O-β-D-glucopyranoside | 1378463-87-6

• 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-xylopyranosyl-(1-->2)-O-β-D-glucuronopyranosyl-29-hydroxyoleanolic acid-28-O-β-D-glucopyranoside
• 英文别名: 3-O-β-D-xylopyranosyl-(1→2)-O-β-D-glucuronopyranosyl-29-hydroxyoleanolic acid-28-O-β-D-glucopyranoside
• CAS: 1378463-87-6
• 化学式: C₄₇H₇₄O₁₉
• 分子量: 943.093
• InChiKey: GYKMAKCRVRDEBC-LKLOKOBUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.16
• 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：
  0.91
• 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-xylopyranosyl-(1-->2)-O-β-D-glucuronopyranosyl-29-hydroxyoleanolic acid-28-O-β-D-glucopyranoside 在 盐酸 作用下， 以 水 为溶剂， 生成 可得然胶 、 (1S,2S)-安非他酮N-1’-脱氧-beta-D-葡萄糖醛酸 、 beta-D-吡喃木糖
  参考文献：
  名称：

  Triterpene saponins from Salsola imbricata

  摘要：

  Continuing our investigations on medicinal plants of the Egyptian desert, two new triterpene glycoside derivatives, along with three known compounds have been isolated from the roots of Salsola imbricata, a shrub widely growing in Egypt. Their structures have been established as 3-O-beta-D-xylopyranosyl(1 -> 2)-O-beta-D-glucuronopyranosyl-akebonic acid 28-O-beta-D-glucopyranoside and 3-O-beta-D-xylopyranosyl-(1 -> 2)-O-beta-D-glucuronopyranosyl-29-hydroxyoleanolic acid 28-O-beta-D-glucopyranoside on the basis of spectroscopic methods including 1D-(H-1, C-13) and 2D-NMR (DQF-COSY, HSQC, HMBC) experiments as well as mass spectrometry analysis. (C) 2011 Phytochemical Society of Europe. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.phytol.2011.07.010