1-O-(E)-caffeoyl-6-O-galloyl-β-D-glucopyranose | 142717-61-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 1-O-(E)-caffeoyl-6-O-galloyl-β-D-glucopyranose
• 英文别名: 1'-O-caffeoyl-6'-O-galloyl-β-D-glucopyranose；1-O-caffeoyl-(6-O-galloyl)-beta-d-glucopyranose；[(2R,3S,4S,5R,6S)-6-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
• CAS: 142717-61-1
• 化学式: C₂₂H₂₂O₁₃
• 分子量: 494.409
• InChiKey: SZYUZVASEFYUCP-CRWJSCDFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  224
• 氢给体数：
  8
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  苯甲酰氯 、 1-O-(E)-caffeoyl-6-O-galloyl-β-D-glucopyranose 生成 3,4,5-Trihydroxy-benzoic acid (2R,3R,4S,5R,6S)-3,4,5-tris-benzoyloxy-6-[(E)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-tetrahydro-pyran-2-ylmethyl ester
  参考文献：
  名称：

  Three biologically active phenylpropanoid glucosides fromMyriophyllum verticillatum

  摘要：

  Three novel phenylpropanoid glucosides have been isolated from a methanolic extract of Myriophyllum verticillatum and their structures defined by spectroscopic methods and chemical degradations. The biological activity of these compounds on the cyanobacterium Synechococcus leopoliensis has been investigated.

  DOI：

  10.1016/0031-9422(91)83017-f