3-O-β-D-xylopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->2)-β-D-xylopyranosyloleanolic acid 28-O-β-D-glucopyranoside | 1353558-36-7

• 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->3)-α-L-rhamnopyranosyl-(1->2)-β-D-xylopyranosyloleanolic acid 28-O-β-D-glucopyranoside
• 英文别名: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• CAS: 1353558-36-7
• 化学式: C₅₂H₈₄O₂₀
• 分子量: 1029.23
• InChiKey: JJSJZGSCSPQRQH-CGEBPPDASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  72
• 可旋转键数：
  10
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  313
• 氢给体数：
  11
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  3-O-β-D-xylopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->2)-β-D-xylopyranosyloleanolic acid 28-O-β-D-glucopyranoside 在 三氟乙酸 作用下， 反应 4.0h， 生成 D-木糖 、 L-鼠李糖 、 葡萄糖
  参考文献：
  名称：

  New triterpenoid saponins fromPatrinia scabiosifolia

  摘要：

  Phytochemical investigation of methanol extract from the whole plants of Patrinia scabiosifolia Fisch. resulted in the isolation of three new triterpenoid saponins (1-3) along with twelve known triterpenoids (4-15). The structures of the new compounds were established as 11 alpha, 12 alpha-epoxy-3-O-beta-D-xylopyranosyl-olean-28, 13 beta-olide (1), 11 alpha, 12 alpha-epoxy-3-O-beta-D-xylopyranosyl-(1 -> 3)-alpha-L-rhamnopyranosyl-(1 -> 2)-beta-D-xylopyranosyl-olean-28, 13 beta-olide (2), and 3-O-beta-D-xylopyranosyl-(1 -> 3)-alpha-L-rhamnopyranosyl-(1 -> 2)-beta-D-xylopyranosyl oleanolic acid 28-O-beta-D-glucopyranoside (3) on the basis of various spectroscopic analyses (including different 1D and 2D NMR spectroscopies and high-resolution electrospray ionization mass spectrometry) and chemical evidences.

  DOI：

  10.1080/10286020.2011.653685

文献信息

• New triterpenoid saponins from<i>Patrinia scabiosifolia</i>
  作者：Liang Gao、Lin Zhang、Li-Ming Wang、Jiang-Yun Liu、Pei-Lie Cai、Shi-Lin Yang

  DOI：10.1080/10286020.2011.653685

  日期：2012.4

  Phytochemical investigation of methanol extract from the whole plants of Patrinia scabiosifolia Fisch. resulted in the isolation of three new triterpenoid saponins (1-3) along with twelve known triterpenoids (4-15). The structures of the new compounds were established as 11 alpha, 12 alpha-epoxy-3-O-beta-D-xylopyranosyl-olean-28, 13 beta-olide (1), 11 alpha, 12 alpha-epoxy-3-O-beta-D-xylopyranosyl-(1 -> 3)-alpha-L-rhamnopyranosyl-(1 -> 2)-beta-D-xylopyranosyl-olean-28, 13 beta-olide (2), and 3-O-beta-D-xylopyranosyl-(1 -> 3)-alpha-L-rhamnopyranosyl-(1 -> 2)-beta-D-xylopyranosyl oleanolic acid 28-O-beta-D-glucopyranoside (3) on the basis of various spectroscopic analyses (including different 1D and 2D NMR spectroscopies and high-resolution electrospray ionization mass spectrometry) and chemical evidences.