β-cyclodextrin-crassicauline A complex | 1297595-81-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: β-cyclodextrin-crassicauline A complex
• CAS: 1297595-81-3
• 化学式: C₃₅H₄₉NO₁₀*C₄₂H₇₀O₃₅
• 分子量: 1778.77
• InChiKey: ZPBVRNOMONFBGH-GYSBKCDCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -12.52
• 重原子数：
  123.0
• 可旋转键数：
  17.0
• 环数：
  28.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  676.27
• 氢给体数：
  22.0
• 氢受体数：
  46.0

反应信息

• 作为产物：
  描述：

  crassicauline A 、 β-环糊精 以 乙醇 、 水 为溶剂， 反应 1.0h， 以82%的产率得到β-cyclodextrin-crassicauline A complex
  参考文献：
  名称：

  Crassicauline A/β-cyclodextrin host–guest system: Preparation, characterization, inclusion mode, solubilization and stability

  摘要：

  The inclusion complexation behavior, characterization and binding ability of crassicauline A (CLA) with beta-cyclodextrin (beta-CD) has been investigated in both solution and the solid state by means of UV-vis spectroscopy, FT-IR, (1)H and 2D NMR, XRD, SEM and DSC. The results showed that the water solubility and thermal stability of CLA were obviously increased in the inclusion complex with beta-CD. This satisfactory water solubility and high stability of the CLA/beta-CD complex will be potentially useful for its application as herbal medicine or healthcare products. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carbpol.2011.01.031