2α,28-dihydroxylup-20(29)-en-3β-yl O-α-L-arabinopyranosyl-(1->4)-O-β-D-xylopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranoside | 1379682-91-3

• 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: 2α,28-dihydroxylup-20(29)-en-3β-yl O-α-L-arabinopyranosyl-(1->4)-O-β-D-xylopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranoside
• 英文别名: (2S,3R,4S,5S)-2-[(3R,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[[(1R,3aS,5aR,5bR,7aR,9R,10R,11aR,11bR,13aR,13bR)-10-hydroxy-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
• CAS: 1379682-91-3
• 化学式: C₅₁H₈₄O₂₀
• 分子量: 1017.22
• InChiKey: CIZZXTXHAZVJNT-VUUFRKHISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  71
• 可旋转键数：
  11
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  317
• 氢给体数：
  12
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  2α,28-dihydroxylup-20(29)-en-3β-yl O-α-L-arabinopyranosyl-(1->4)-O-β-D-xylopyranosyl-(1->2)-O-[β-D-xylopyranosyl-(1->4)]-β-D-glucopyranoside 在 盐酸 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以2.1 mg的产率得到lup-20(29)-en-2α,3β,28-triol
  参考文献：
  名称：

  Seven new triterpene glycosides from the pericarps of Stryphnodendron fissuratum

  摘要：

  Seven new triterpene glycosides on the basis of the lupane skeleton (1-7) were isolated from the pericarps of Stryphnodendron fissuratum (Leguminosae). The structures of 1-7 were determined on the basis of extensive spectroscopic analysis, including two-dimensional NMR data, and the results of hydrolytic cleavage. (C) 2011 Phytochemical Society of Europe. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.phytol.2011.04.010