α-D-galactopyranosyl-(1→6)-α-D-galactopyranosyl-(1→6)-α-D-glucopyranosyl-(1→2)-β-D-fructofuranosyl citric acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: α-D-galactopyranosyl-(1→6)-α-D-galactopyranosyl-(1→6)-α-D-glucopyranosyl-(1→2)-β-D-fructofuranosyl citric acid
• 化学式: C₃₀H₄₈O₂₇
• 分子量: 840.695
• InChiKey: RQLUDLAYBRJVTE-VIIRDJOWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.95
• 重原子数：
  57.0
• 可旋转键数：
  18.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  448.73
• 氢给体数：
  16.0
• 氢受体数：
  24.0

反应信息

• 作为反应物：
  描述：

  α-D-galactopyranosyl-(1→6)-α-D-galactopyranosyl-(1→6)-α-D-glucopyranosyl-(1→2)-β-D-fructofuranosyl citric acid 在 硫酸 作用下， 以 水 为溶剂， 反应 10.0h， 生成 果糖 、 葡萄糖 、 口服葡萄糖
  参考文献：
  名称：

  Anti-Influenza a virus of a new oligosaccharide citric acid derivative isolated from Vigna angularis (ohwi et ohashi. var. Dainagon) Seeds

  摘要：

  A new oligosaccharide citric acid derivative was isolated by hot aqueous extraction at 85 degrees C from Vigna angularis seeds, and it was purified using anion exchange chromatography DE-52. The structure was inferred by using UV, 1 D and 2 D NMR spectroscopy and HR-MALDI/MS, and identified as alpha-D-galactopyranosyl-(1 -> 6)-alpha-D-galactopyranosyl-(1 -> 6)-alpha-D-glucopyranosyle-(1 -> 2)-beta-D-fructofuranosyle citric acid. The isolated oligosaccharide citric acid derivative revealed promising anti-influenza A virus with 50% inhibition concentration (IC50) of 0.162 nM/mL and 50% cytotoxic dose (CC50) of >2.38 nM/mL.

  DOI：

  10.1080/07328303.2019.1615499