pulsatillacernuoside G

• 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: pulsatillacernuoside G
• 化学式: C₆₅H₁₀₄O₃₁
• 分子量: 1381.52
• InChiKey: PRXBUAUAZGJLOB-FSPLGDHVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.51
• 重原子数：
  96.0
• 可旋转键数：
  16.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  488.81
• 氢给体数：
  17.0
• 氢受体数：
  31.0

反应信息

• 作为反应物：
  描述：

  pulsatillacernuoside G 在 盐酸 、 吡啶 、 L-半胱氨酸甲酯盐酸盐 、 三甲基氯硅烷 作用下， 以 水 为溶剂， 反应 4.0h， 生成 可得然胶 、 L-(+)-鼠李糖 、 alpha-L-阿拉伯吡喃糖
  参考文献：
  名称：

  A new triterpenoid saponin fromPulsatilla cernuapredicted by NMR-based mosaic method

  摘要：

  A saponin (1) with gypsogenin as aglycone was isolated from the roots of Pulsatilla cernua. The aglycone of compound 1 was considered as gypsogenin which was rarely found in this genus. Its structure was predicted by NMR-based "mosaic" method rapidly, and further confirmed on the basis of spectroscopic data, including 2D NMR spectra and chemical evidence. This work suggested that NMR-based mosaic method is suitable for most of saponins from common species of genus Pulsatilla.

  DOI：

  10.1080/14786419.2018.1538995

文献信息

• A new triterpenoid saponin from<i>Pulsatilla cernua</i>predicted by NMR-based mosaic method
  作者：An-Dong Wang、Ying Bao、Xia Wang、Mei-Chen Li、Xu-Hong Ren、Jian-Yu Liu、Yong-Nan Xu

  DOI：10.1080/14786419.2018.1538995

  日期：2020.4.2

  A saponin (1) with gypsogenin as aglycone was isolated from the roots of Pulsatilla cernua. The aglycone of compound 1 was considered as gypsogenin which was rarely found in this genus. Its structure was predicted by NMR-based "mosaic" method rapidly, and further confirmed on the basis of spectroscopic data, including 2D NMR spectra and chemical evidence. This work suggested that NMR-based mosaic method is suitable for most of saponins from common species of genus Pulsatilla.