quercetin 3-O-β-D-glucopyranosyl(1->4)-β-D-galactoside

• 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: quercetin 3-O-β-D-glucopyranosyl(1->4)-β-D-galactoside
• 英文别名: 3-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
• 化学式: C₂₇H₃₀O₁₇
• 分子量: 626.525
• InChiKey: UTECWQIXBMWRRR-IOISQHTLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  44
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  286
• 氢给体数：
  11
• 氢受体数：
  17

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  槲皮素	quercetol	117-39-5	C15H10O7	302.24

反应信息

• 作为反应物：
  描述：

  quercetin 3-O-β-D-glucopyranosyl(1->4)-β-D-galactoside 在 盐酸 作用下， 以 盐酸 为溶剂， 反应 1.0h， 生成 槲皮素
  参考文献：
  名称：

  Flavonoid glycosides and an anthraquinone from Rumex chalepensis

  摘要：

  Besides rutin, quercetin 3-rhamnoside and kaempferol 3-rhamnosyl(1 --> 6) galactoside, a new flavonol glycoside, quercetin 3-glucosyl(1 --> 4)galactoside, and 1,6,8-trihydroxy-3-methyl anthraquinone (emodin) have been characterized from leaves of Rumex chalepensis. The structures were established on the basis of R(f) values, acid hydrolysis to aglycone and sugar and UV, EI and FAB-mass spectra, (1)HNMR, C-13 DEPT NMR, NOE difference measurement, H-1-H COSY and H-1-C-13 COSY spectral data.

  DOI：

  10.1016/0031-9422(95)00071-e

文献信息

• Flavonoid glycosides and an anthraquinone from Rumex chalepensis
  作者：A Hasan

  DOI：10.1016/0031-9422(95)00071-e

  日期：1995.7

  Besides rutin, quercetin 3-rhamnoside and kaempferol 3-rhamnosyl(1 --> 6) galactoside, a new flavonol glycoside, quercetin 3-glucosyl(1 --> 4)galactoside, and 1,6,8-trihydroxy-3-methyl anthraquinone (emodin) have been characterized from leaves of Rumex chalepensis. The structures were established on the basis of R(f) values, acid hydrolysis to aglycone and sugar and UV, EI and FAB-mass spectra, (1)HNMR, C-13 DEPT NMR, NOE difference measurement, H-1-H COSY and H-1-C-13 COSY spectral data.