1,3-di-[4-O-(β-D-glucopyranosyl)benzyl]-2-{4-O-[β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl]benzyl} citrate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3-di-[4-O-(β-D-glucopyranosyl)benzyl]-2-{4-O-[β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl]benzyl} citrate
• 英文别名: Parishin F；1-O,3-O-bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 2-O-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]methyl] 2-hydroxypropane-1,2,3-tricarboxylate
• 化学式: C₅₁H₆₆O₃₀
• 分子量: 1159.07
• InChiKey: POWVKLGHGYOYMI-FWHCESPLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.2
• 重原子数：
  81
• 可旋转键数：
  26
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  476
• 氢给体数：
  16
• 氢受体数：
  30

反应信息

• 作为反应物：
  描述：

  1,3-di-[4-O-(β-D-glucopyranosyl)benzyl]-2-{4-O-[β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl]benzyl} citrate 在 potassium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 反应 4.0h， 生成 柠檬酸
  参考文献：
  名称：

  Two new phenolic glycosides from the rhizome ofGastrodia elata

  摘要：

  Two new phenolic glycosides, named parishins F-G (1-2), together with known parishin E, were isolated from the rhizome of Gastrodia elata. The new structures were established as 1,3-di-[4-O-(beta-D-glucopyranosyl) benzyl]-2-{4-O-[beta-D-glucopyranosyl-(1 -> 6)-beta-D-glucopyranosyl] benzyl} citrate (1) and 2-[4-O-(beta-D-glucopyranosyl) benzyl] citrate (2), by means of MS, 1D, and 2D NMR spectral analyses, as well as chemical methods.

  DOI：

  10.1080/10286020.2012.669755

文献信息

• Two new phenolic glycosides from the rhizome of<i>Gastrodia elata</i>
  作者：Li Wang、Hong-Bin Xiao、Li Yang、Zheng-Tao Wang

  DOI：10.1080/10286020.2012.669755

  日期：2012.5

  Two new phenolic glycosides, named parishins F-G (1-2), together with known parishin E, were isolated from the rhizome of Gastrodia elata. The new structures were established as 1,3-di-[4-O-(beta-D-glucopyranosyl) benzyl]-2-4-O-[beta-D-glucopyranosyl-(1 -> 6)-beta-D-glucopyranosyl] benzyl} citrate (1) and 2-[4-O-(beta-D-glucopyranosyl) benzyl] citrate (2), by means of MS, 1D, and 2D NMR spectral analyses, as well as chemical methods.