(6''-O-(delphinidin 3-O-(6''-O-p-coumaroyl-glucoside) 7-O-glucosyl)) (6''''-O-(kaempferol 3,7-di-O-glucoside, 4'-O-glucosyl))succinate

• 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: (6''-O-(delphinidin 3-O-(6''-O-p-coumaroyl-glucoside) 7-O-glucosyl)) (6''''-O-(kaempferol 3,7-di-O-glucoside, 4'-O-glucosyl))succinate
• 化学式: C₇₃H₇₉O₄₂
• 分子量: 1628.41
• InChiKey: WBACEWHKWYCCAO-NDFRMYOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -4.87
• 重原子数：
  115.0
• 可旋转键数：
  25.0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  678.0
• 氢给体数：
  23.0
• 氢受体数：
  41.0

反应信息

• 作为反应物：
  描述：

  (6''-O-(delphinidin 3-O-(6''-O-p-coumaroyl-glucoside) 7-O-glucosyl)) (6''''-O-(kaempferol 3,7-di-O-glucoside, 4'-O-glucosyl))succinate 在 sodium hydroxide 作用下， 反应 1.0h， 生成 4-香豆酸 、 kaempferol 3,7,4'-tri-O-β-glucoside 、 delphinidin 3-O-β-D-glucopyranoside-7-O-β-D-glucopyranoside
  参考文献：
  名称：

  Covalently linked anthocyanin–flavonol pigments from blue Agapanthus flowers

  摘要：

  The structures of the two major anthucyanins in blue Agapanthus flowers have been determined to be a p-coumaroylated delphinidin diglycoside attached to a flavonol triglycoside via a succinic acid diester link. The structure has been determined unambiguously through degradation studies, glycosidic analysis and NMR experiments. These compounds represent unique examples of anthocyanin pigments where both types of co-pigment, an aromatic acyl group and a flavonoid co-pigment, are attached covalently to the anthocyanin. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(99)00572-5