3,4-dihydroxyphenyl-(6'-O-benzoyl)-O-β-D-glucopyranoside | 251921-19-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,4-dihydroxyphenyl-(6'-O-benzoyl)-O-β-D-glucopyranoside
• 英文别名: [(2R,3S,4S,5R,6S)-6-(3,4-dihydroxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
• CAS: 251921-19-4
• 化学式: C₁₉H₂₀O₉
• 分子量: 392.362
• InChiKey: NAXRNCZKQQXVIW-OGJJZOIMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  146
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3,4-dihydroxyphenyl-(6'-O-benzoyl)-O-β-D-glucopyranoside 、 碘甲烷 在 sodium hydroxide 、 sodium t-butanolate 作用下， 以 二甲基亚砜 为溶剂， 反应 3.17h， 以15 mg的产率得到
  参考文献：
  名称：

  Polyphenolic Glycosides from African Proteaceae

  摘要：

  The phytochemical investigation of members of the genus Protea afforded a series of polyphenolic compounds (1-5) that were identified by 1D and 2D NMR experiments. Of these, 2-5 are new compounds. Chemical syntheses of 1-3 were performed in order to confirm the structures and to prepare additional material for biological evaluation.

  DOI：

  10.1021/np9902237
• 作为产物：
  描述：

  芝麻酚 在 吡啶 、 sodium hydroxide 、 sodium thioethoxide 、 苄基三乙基溴化铵 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 29.0h， 生成 3,4-dihydroxyphenyl-(6'-O-benzoyl)-O-β-D-glucopyranoside
  参考文献：
  名称：

  Polyphenolic Glycosides from African Proteaceae

  摘要：

  The phytochemical investigation of members of the genus Protea afforded a series of polyphenolic compounds (1-5) that were identified by 1D and 2D NMR experiments. Of these, 2-5 are new compounds. Chemical syntheses of 1-3 were performed in order to confirm the structures and to prepare additional material for biological evaluation.

  DOI：

  10.1021/np9902237