6''-(2-O-trans-sinapoyl-β-D-glucopyranosyl)-7-O-trans-sinapoylisovitexin 4'-O-β-D-glucopyranoside

• 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''-(2-O-trans-sinapoyl-β-D-glucopyranosyl)-7-O-trans-sinapoylisovitexin 4'-O-β-D-glucopyranoside
• 英文别名: [(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-7-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-4-oxo-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-6-yl]oxan-2-yl]methoxy]oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
• 化学式: C₅₅H₆₀O₂₈
• 分子量: 1169.06
• InChiKey: JQQUFQDXUKPOLZ-ABQZIVPASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  83
• 可旋转键数：
  21
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  425
• 氢给体数：
  13
• 氢受体数：
  28

反应信息

• 作为反应物：
  描述：

  6''-(2-O-trans-sinapoyl-β-D-glucopyranosyl)-7-O-trans-sinapoylisovitexin 4'-O-β-D-glucopyranoside 在 氢氧化钾 、 盐酸 、 sodium acetate 、 溶剂黄146 、 β-glucosidase 作用下， 反应 24.0h， 生成 异牡荆黄素
  参考文献：
  名称：

  Five novel flavonoids from Wasabia japonica

  摘要：

  From the fresh leaves of Wasabia japonica Matsum., five novel flavonoids 1-5, isovitexin derivatives having a trans-sinapoyl group at C-7. were isolated together with five known flavonoids, and their structures were elucidated on the basis of their spectroscopic data (NMR, MS. UV, and IR) and chemical evidence. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.04.061

文献信息

• Five novel flavonoids from Wasabia japonica
  作者：Takahiro Hosoya、Young Sook Yun、Akira Kunugi

  DOI：10.1016/j.tet.2005.04.061

  日期：2005.7

  From the fresh leaves of Wasabia japonica Matsum., five novel flavonoids 1-5, isovitexin derivatives having a trans-sinapoyl group at C-7. were isolated together with five known flavonoids, and their structures were elucidated on the basis of their spectroscopic data (NMR, MS. UV, and IR) and chemical evidence. (c) 2005 Elsevier Ltd. All rights reserved.