lonijapospiroside A

• 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: lonijapospiroside A
• 英文别名: lonjaponspiroside B
• 化学式: C₂₇H₃₁NO₁₂
• 分子量: 561.543
• InChiKey: RTLOXEMMJLUKBN-DWGLVXGSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.77
• 重原子数：
  40.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  190.31
• 氢给体数：
  5.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  lonijapospiroside A 在 盐酸 、 水 作用下， 反应 5.0h， 生成 D-葡萄糖
  参考文献：
  名称：

  Secondary metabolites from the flower buds of Lonicera japonica and their in vitro anti-diabetic activities

  摘要：

  Four new compounds (1, 2, 7 and 8) and twenty known compounds were isolated from the flower buds of Lonicerajaponica. Their structures were determined by extensive NMR and HR-ESIMS spectroscopic data analyses. Among them, compounds 1 and 2 are a pair of diastereoisomers possessing a rare chemical structure, and their absolute configurations were determined by comparing their experimental and calculated ECD spectra. Furthermore, all the isolates were evaluated for their inhibitory effects on a-glucosidase and protein tyrosine phosphatase IB (PTP1B), especially 1 and 2, which displayed both significant inhibitions. In addition, the possible action mechanism of the active compounds was also explored by using molecular docking studies. (C) 2016 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.fitote.2016.02.011