pelargonidin 3-sophoroside-5-glucoside | 108266-58-6

• 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: pelargonidin 3-sophoroside-5-glucoside
• 英文别名: (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[7-hydroxy-2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 108266-58-6
• 化学式: C₃₃H₄₁O₂₀
• 分子量: 757.677
• InChiKey: XPMFXZDODDEKIK-FEFFISETSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  -4.03
• 重原子数：
  53
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  319
• 氢给体数：
  13
• 氢受体数：
  19

反应信息

• 作为产物：
  描述：

  pelargonidin 3-O-(2-O-{6-O-[trans-3-O-(β-D-glucopyranosyl)-caffeyl]-β-D-glucopyranosyl}-6-O-{trans-4-O-[6-O-(trans-caffeyl)-β-D-glucopyranosyl]-caffeyl}-β-D-glucopyranoside)-5-O-(β-D-glucopyranoside) 在 水 、 hydroxide 作用下， 生成 pelargonidin 3-sophoroside-5-glucoside
  参考文献：
  名称：

  Acylated pelargonidin glycosides in red-purple flowers of Ipomoea purpurea

  摘要：

  Four acylated pelargonidin glycosides were isolated from the red-purple flowers of Ipomoea purpurea. The acylated anthocyanins were all based on pelargonidin 3-sophoroside-5-glucoside, acylated with caffeic acid and/or glucosylcaffeic acids. Three novel anthocyanins were elucidated to be pelargonidin 3-O-[2-O-(6-O-(trans-3 -O-(beta-D-glucopyranosyl)-caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-4-O-(6-O-(trans-caffeyl)-beta-D-glucopyranosyl)- caffeyl)-beta-D-glucopyranoside], pelargonidin 3-O-[2-O-(6-O-(trans-caffeyl)-beta-D- glucopyranosyl)-6-O-(trans-4-O-(6-O-(trans-caffeyl)-beta-D- glucopyranosyl)-caffeyl)-beta-D-glucopyranoside]-5-O- [beta-D-glucopyranoside] and pelargonidin 3-O-[2-O-(6-O-(trans-caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-caffeyl)-beta-D-glucopyranoside]-5-O-[beta-D-glucpyosdide]. Another anthocyanin was pelargonidin 3-O-[2-O-(glucosylcaffeylglucosyl)-6-O-(caffeyl)-glucoside]-5- gluoside, which was reported to be present in the red-purple flowers of Pharbitis nil. Apart from the second pigment cited, these are analogous pigments of the violet-blue Ipomoea anthocyanins which are composed of acylated cyanidin glycosides, instead of pelargonidin. Copyright (C) 1996 Elevier Science Ltd

  DOI：

  10.1016/s0031-9422(96)00501-8