delphinidin 3,5-di-O-(β-D-glucopyranoside) trifluoroacetic acid salt

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: delphinidin 3,5-di-O-(β-D-glucopyranoside) trifluoroacetic acid salt
• 英文别名: delphinidin 3,5-di-O-β-D-glucoside trifluoroacetic acid salt
• 化学式: C₂F₃O₂*C₂₇H₃₁O₁₇
• 分子量: 740.549
• InChiKey: OGDSXEIXJLMHAO-LYQFWTOWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.14
• 重原子数：
  51.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  331.11
• 氢给体数：
  12.0
• 氢受体数：
  18.0

反应信息

• 作为产物：
  描述：

  delphinidin 3,5-di-O-(6-O-malonyl-β-D-glucoside) trifluoroacetic acid salt 在 盐酸 作用下， 以 甲醚 为溶剂， 反应 1.0h， 生成 花翠素 、 delphinidin 3,5-di-O-(β-D-glucopyranoside) trifluoroacetic acid salt 、 delphinidin 3-O-(β-D-glucopyranoside)-5-O-(6-O-malonyl-β-D-glucopyranoside) trifluoroacetic acid salt 、 delphinidin 3-O-(6-O-malonyl-β-D-glucoside)-5-O-β-D-glucoside trifluoroacetic acid salt
  参考文献：
  名称：

  Anthocyanins from flowers of Cichorium intybus

  摘要：

  From the blue perianth segments of Cichorium intybus we isolated four anthocyanins. The pigments were identified as delphinidin 3.5-di-O-(6-O-malonyl-beta-D-glucoside) and delphinidin 3-O-(6-O-malonyl-beta-D-glucoside)-5-O-beta-D-glucoside and the known compounds were delphinidin 3-O-beta-D-glucoside-5-O-(6-O-malonyl-beta-D-glucoside) and delphinidin 3,5-di-O-beta-D-glucoside. In addition 3-O-p-coumaroyl quinic acid has been identified. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0031-9422(02)00055-9

文献信息

• Anthocyanins from flowers of Cichorium intybus
  作者：Rikke Nørbæk、Karina Nielsen、Tadao Kondo

  DOI：10.1016/s0031-9422(02)00055-9

  日期：2002.6

  From the blue perianth segments of Cichorium intybus we isolated four anthocyanins. The pigments were identified as delphinidin 3.5-di-O-(6-O-malonyl-beta-D-glucoside) and delphinidin 3-O-(6-O-malonyl-beta-D-glucoside)-5-O-beta-D-glucoside and the known compounds were delphinidin 3-O-beta-D-glucoside-5-O-(6-O-malonyl-beta-D-glucoside) and delphinidin 3,5-di-O-beta-D-glucoside. In addition 3-O-p-coumaroyl quinic acid has been identified. (C) 2002 Published by Elsevier Science Ltd.