| 1338564-86-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1338564-86-5
• 化学式: C₁₈H₂₂O₁₀
• 分子量: 398.367
• InChiKey: NTHGTSNZXYVFCK-XLKGFZLASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.21
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  137.82
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  、 2,3,4-三-O-乙酰基-β-D-吡喃木糖基三氯乙酰亚胺酸酯 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 20.0h， 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
• 作为产物：
  描述：

  methyl 2-O-(2,3-di-O-acetyl-4,6-O-benzylidene)-β-D-glucopyranosylbenzoate 在 溶剂黄146 作用下， 反应 3.0h， 以79%的产率得到
  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