rapulaside A

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: rapulaside A
• 英文别名: methyl (4S,5S,6R,7S,8Z,11R,12R,13S,16S)-6-ethenyl-5-methyl-2-oxo-16-(2-oxoethyl)-11,13-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-3,10,14-trioxatricyclo[10.3.1.14,7]heptadeca-1(15),8-diene-8-carboxylate
• 化学式: C₃₃H₄₆O₁₉
• 分子量: 746.717
• InChiKey: QMDDOXYGVQQWAK-CYJAXZGOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  52
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  287
• 氢给体数：
  8
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  rapulaside A 在 盐酸 作用下， 反应 6.0h， 以4.4 mg的产率得到可得然胶
  参考文献：
  名称：

  Rapulasides A and B: two novel intermolecular rearranged biiridoid glucosides from the roots of Heracleum rapula

  摘要：

  Two novel intermolecular rearranged biiridoid glucosides, rapulasides A and B (I and 2), have been isolated from the roots of Heracleum rapula. Their structures were identified by extensive spectral analysis especially different NMR techniques. NOESY experiment, with the help of Dreiding molecular model, was used to elucidate their relative stereochemistry. Both compounds were tested for their inhibitory effects on rabbit platelet aggregation induced by PAF, ADP, or AA, respectively. Only trends of inhibition were observed for them. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.06.094