3-O-β-D-glucopyranosyl-trans-caffeic acid | 143729-78-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-O-β-D-glucopyranosyl-trans-caffeic acid
• 英文别名: caffeic acid glucoside；caffeic acid hexoside；Caffeic acid 3-glucoside；(E)-3-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid
• CAS: 143729-78-6
• 化学式: C₁₅H₁₈O₉
• 分子量: 342.303
• InChiKey: QOPSZFXPZWQLOG-VHCZEJTMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  157
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  Evolvulus anthocyanin 在 双氧水 作用下， 生成 3-O-β-D-glucopyranosyl-trans-caffeic acid
  参考文献：
  名称：

  An acylated delphinidin glycoside in the blue flowers of Evolvulus pilosus

  摘要：

  A new acylated anthocyanin was isolated from the blue flowers of Evolvulus pilosus cv 'Blue Daze' as a major anthocyanin. The structure of this pigment was determined to be delphinidin 3-O-(6-O-(trans-4-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)-caffeyl)- beta-D-glucopyranosyl)-caffeyl)-beta-D-glucopyranoside)-5-O-((6-O-malonyl)-beta-D-glucopyranoside) by chemical and spectral methods.

  DOI：

  10.1016/s0031-9422(00)89783-6

文献信息

• An acylated delphinidin glycoside in the blue flowers of Evolvulus pilosus
  作者：Kenjiro Toki、Norio Saito、Kazuko Kawano、Tin Sen Lu、Atsushi Shigihara、Toshio Honda

  DOI：10.1016/s0031-9422(00)89783-6

  日期：1994.6

  A new acylated anthocyanin was isolated from the blue flowers of Evolvulus pilosus cv 'Blue Daze' as a major anthocyanin. The structure of this pigment was determined to be delphinidin 3-O-(6-O-(trans-4-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)-caffeyl)- beta-D-glucopyranosyl)-caffeyl)-beta-D-glucopyranoside)-5-O-((6-O-malonyl)-beta-D-glucopyranoside) by chemical and spectral methods.