3β-[(α-L-arabinopyranosyl)oxy]-19α-hydroxyurs-12-en-28-oic acid 28-(6-O-galloyl-β-D-glucopyranosyl) ester | 356785-75-6

• 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: 3β-[(α-L-arabinopyranosyl)oxy]-19α-hydroxyurs-12-en-28-oic acid 28-(6-O-galloyl-β-D-glucopyranosyl) ester
• 英文别名: 3β-[(α-L-arabinopyranosyl)oxy]-112 19α-hydroxyurs-12-en-28-oic acid 28-(6-O-galloyl-β-D-glucopyranosyl) ester；6-O-(3,4,5-Trihydroxybenzoyl)-I(2)-D-glucopyranosyl (3I(2))-3-(I+/--L-arabinopyranosyloxy)-19-hydroxyurs-12-en-28-oate；[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl] (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• CAS: 356785-75-6
• 化学式: C₄₈H₇₀O₁₇
• 分子量: 919.074
• InChiKey: MBFMXPAPAAZQQU-BEYSPQKUSA-N

物化性质

• 沸点：
  998.7±65.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  65
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  283
• 氢给体数：
  10
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  3β-[(α-L-arabinopyranosyl)oxy]-19α-hydroxyurs-12-en-28-oic acid 28-(6-O-galloyl-β-D-glucopyranosyl) ester 在 ammonium hydroxide 作用下， 反应 0.5h， 以6.3 mg的产率得到苦丁冬青甙 H
  参考文献：
  名称：

  Triterpene glycosides from the roots of Sanguisorba officinalis

  摘要：

  Five triterpene glycosides were isolated from the MeOH extract of Sanguisorba officinalis (Rosaceae) roots, as confirmed by detailed analysis of their H-1, C-13, and two-dimensional NMR data, and by the results of hydrolytic cleavage. Three known triterpenes and six known triterpene glycosides were also isolated and identified. The isolated compounds were evaluated for their cytotoxic activities against HSC-2 cells and HGF. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(01)00083-8

文献信息

• Triterpene glycosides from the roots of Sanguisorba officinalis
  作者：Yoshihiro Mimaki、Masato Fukushima、Akihito Yokosuka、Yutaka Sashida、Shigenori Furuya、Hiroshi Sakagami

  DOI：10.1016/s0031-9422(01)00083-8

  日期：2001.7

  Five triterpene glycosides were isolated from the MeOH extract of Sanguisorba officinalis (Rosaceae) roots, as confirmed by detailed analysis of their H-1, C-13, and two-dimensional NMR data, and by the results of hydrolytic cleavage. Three known triterpenes and six known triterpene glycosides were also isolated and identified. The isolated compounds were evaluated for their cytotoxic activities against HSC-2 cells and HGF. (C) 2001 Elsevier Science Ltd. All rights reserved.