malvidin 3-O-[6-O-(3-hydroxy-3-methylglutaroyl)-β-D-glucopyranoside] | 1158964-28-3

• 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: malvidin 3-O-[6-O-(3-hydroxy-3-methylglutaroyl)-β-D-glucopyranoside]
• 英文别名: 5-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
• CAS: 1158964-28-3
• 化学式: C₂₉H₃₃O₁₆
• 分子量: 637.571
• InChiKey: OHMXNDBJIHLUDL-UPDIULKTSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  0.86
• 重原子数：
  45
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  243
• 氢给体数：
  8
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  malvidin 3-O-[6-O-(3-hydroxy-3-methylglutaroyl)-β-D-glucopyranoside] 在 水 、 sodium hydroxide 作用下， 反应 0.25h， 生成 锦葵素-3-O-葡萄糖苷
  参考文献：
  名称：

  An unusual acylated malvidin 3-glucoside from flowers of Impatiens textori Miq. (Balsaminaceae)

  摘要：

  Acylated malvidin 3-glucoside was isolated from the purple flowers of Impatiens textori Miq. as a major anthocyanin component along with malvidin 3-(6-malonyl-glucoside). Its structure was elucidated to be malvidin 3-O-[6-O-(3-hydroxy-3-methylglutaryl)-beta-glucopyranoside] by chemical and spectroscopic methods. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2009.03.005

文献信息

• An unusual acylated malvidin 3-glucoside from flowers of Impatiens textori Miq. (Balsaminaceae)
  作者：Fumi Tatsuzawa、Norio Saito、Yuki Mikanagi、Koichi Shinoda、Kenjiro Toki、Atsushi Shigihara、Toshio Honda

  DOI：10.1016/j.phytochem.2009.03.005

  日期：2009.3

  Acylated malvidin 3-glucoside was isolated from the purple flowers of Impatiens textori Miq. as a major anthocyanin component along with malvidin 3-(6-malonyl-glucoside). Its structure was elucidated to be malvidin 3-O-[6-O-(3-hydroxy-3-methylglutaryl)-beta-glucopyranoside] by chemical and spectroscopic methods. (C) 2009 Elsevier Ltd. All rights reserved.