1-O-3-hydroxyphenyl-4,5-dimethoxy-(6′-O-3″,5″-dimethoxygalloyl)-β-D-glucopyranoside | 1291069-92-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 1-O-3-hydroxyphenyl-4,5-dimethoxy-(6′-O-3″,5″-dimethoxygalloyl)-β-D-glucopyranoside
• 英文别名: 1-O-3,4-dimethoxy-5-hydroxyphenyl-6-O-(3,5-di-O-methylgalloyl)-β-glucopyranoside；3,4-dimethoxy-5-hydroxyphenyl 6-O-(3,5-di-O-methylgalloyl)-β-D-glucopyranoside；1-(3,4-dimethoxy-5-hydroxyphenyl)-6-(3,5-dimethoxygalloyl)-β-D-glucopyranose；1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-beta-D-glucopyranoside；[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-hydroxy-4,5-dimethoxyphenoxy)oxan-2-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate
• CAS: 1291069-92-5
• 化学式: C₂₃H₂₈O₁₃
• 分子量: 512.468
• InChiKey: JWKGAUAMNHWOKC-PUIBNRJISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  183
• 氢给体数：
  5
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  1-O-3-hydroxyphenyl-4,5-dimethoxy-(6′-O-3″,5″-dimethoxygalloyl)-β-D-glucopyranoside 在 水 作用下， 生成 葡萄糖
  参考文献：
  名称：

  Potential Anti-inflammatory Constituents of the Stems of Gordonia chrysandra

  摘要：

  Eight new oleanane-type triterpenoid glycosides, gordonosides I-P (1-8), and two new phenolic glycosides (9 and 10) were isolated from the stems of Gordonia chrysandra. Their structures were elucidated by spectroscopic and chemical methods. In an in vitro bioassay, compound 1 showed a strong inhibitory effect on nitric oxide production in LPS-activated macrophages with an IC(50) value of 0.14 mu M.

  DOI：

  10.1021/np200021f

文献信息

• Potential Anti-inflammatory Constituents of the Stems of <i>Gordonia chrysandra</i>
  作者：Hui-Zheng Fu、Chuang-Jun Li、Jing-Zhi Yang、Zhu-Fang Shen、Dong-Ming Zhang

  DOI：10.1021/np200021f

  日期：2011.5.27

  Eight new oleanane-type triterpenoid glycosides, gordonosides I-P (1-8), and two new phenolic glycosides (9 and 10) were isolated from the stems of Gordonia chrysandra. Their structures were elucidated by spectroscopic and chemical methods. In an in vitro bioassay, compound 1 showed a strong inhibitory effect on nitric oxide production in LPS-activated macrophages with an IC(50) value of 0.14 mu M.