polyflavanostilbene A | 1420203-65-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: polyflavanostilbene A
• 英文别名: [(1S,8S,9R,11S,17R,18R,19S)-17-(3,4-dihydroxyphenyl)-3,11-dihydroxy-9-(4-hydroxyphenyl)-13-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,16-dioxapentacyclo[9.7.1.02,7.08,19.015,19]nonadeca-2(7),3,5,14-tetraen-18-yl] 3,4,5-trihydroxybenzoate
• CAS: 1420203-65-1
• 化学式: C₄₂H₃₈O₁₉
• 分子量: 846.752
• InChiKey: PUVCOCLLOUYBTL-UAPDXGRVSA-N

物化性质

• 密度：
  1.88±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  61
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  323
• 氢给体数：
  12
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  polyflavanostilbene A 在 cellulose 作用下， 以 aq. buffer 为溶剂， 反应 5.0h， 生成 D-葡萄糖
  参考文献：
  名称：

  Polyflavanostilbene A, a New Flavanol-Fused Stilbene Glycoside from Polygonum cuspidatum

  摘要：

  Polyflavanostilbene A, a new flavanol-fused stilbene glycoside, was isolated from the rhizome of Polygonum cuspidatum. Its unusual structure, including its absolute stereochemistry, was determined by UV, IR, HRESIMS, and 1D and 2D NMR data and by the comparison of experimental and calculated electronic circular dichroism (ECD) spectra. Polyflavanostilbene A has an unprecedented rearranged flavanol skeleton fused to stilbene via a hexahydrocyclopenta[c]furan moiety. Polyflavanostilbene A showed strong inhibitory activity against alpha-glucosidase with an IC50 value of 17.7 mu M.

  DOI：

  10.1021/ol3035033

文献信息

• Polyflavanostilbene A, a New Flavanol-Fused Stilbene Glycoside from <i>Polygonum cuspidatum</i>
  作者：Fushuang Li、Zhilai Zhan、Fu Liu、Yanan Yang、Li Li、Ziming Feng、Jianshuang Jiang、Peicheng Zhang

  DOI：10.1021/ol3035033

  日期：2013.2.1

  Polyflavanostilbene A, a new flavanol-fused stilbene glycoside, was isolated from the rhizome of Polygonum cuspidatum. Its unusual structure, including its absolute stereochemistry, was determined by UV, IR, HRESIMS, and 1D and 2D NMR data and by the comparison of experimental and calculated electronic circular dichroism (ECD) spectra. Polyflavanostilbene A has an unprecedented rearranged flavanol skeleton fused to stilbene via a hexahydrocyclopenta[c]furan moiety. Polyflavanostilbene A showed strong inhibitory activity against alpha-glucosidase with an IC50 value of 17.7 mu M.