| 1338564-92-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1338564-92-3
• 化学式: C₃₄H₄₂O₂₀
• 分子量: 770.695
• InChiKey: IAGCFFXFODZGRP-CBAHVVDASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.47
• 重原子数：
  54.0
• 可旋转键数：
  14.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  247.32
• 氢给体数：
  0.0
• 氢受体数：
  20.0

反应信息

• 作为反应物：
  描述：

  在 甲醇 、 sodium methylate 作用下， 反应 3.0h， 生成 methyl 2-O-(4-O-β-D-glucopyranosyl)-β-D-glucopyranosylbenzoate
  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
• 作为产物：
  描述：

  N-(间甲苯基)甲磺酰胺 、 水杨酸甲酯 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
  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