1-[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)]-β-D-glucopyranosyl-2-hydroxybenzoate | 945934-38-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)]-β-D-glucopyranosyl-2-hydroxybenzoate
• CAS: 945934-38-3
• 化学式: C₃₃H₄₀O₂₀
• 分子量: 756.669
• InChiKey: XFUFYEQKIRYVNF-YYZTVWONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.17
• 重原子数：
  53.0
• 可旋转键数：
  13.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  258.32
• 氢给体数：
  1.0
• 氢受体数：
  20.0

反应信息

• 作为产物：
  描述：

  N-(间甲苯基)甲磺酰胺 、 水杨酸 在 四丁基溴化铵 、 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 1-[2,3,6-tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)]-β-D-glucopyranosyl-2-hydroxybenzoate
  参考文献：
  名称：

  Synthesis and anti-nociceptive and anti-inflammatory effects of gaultherin and its analogs

  摘要：

  The synthesis of gaultherin (1) and its analogs was carried out to provide 11 glycosides under phase-transfer catalytic conditions. The activities of all synthesized compounds were evaluated by nitric oxide production inhibitory assay in vitro. Methyl 2-O-(4-O-beta-D-galactopyranosyl)-beta-D-glucopyranosylbenzoate (5f) showed significantly antinociceptive and anti-inflammatory effects by the evaluation in vivo. Structure-activity relationships within these compounds were discussed.

  DOI：

  10.1080/10286020.2011.596830