kaempferol 3-O-β-D-glucopyranosyl(1->4)-[α-Lrhamnopyranosyl(1->6)]-β-D-glucopyranoside-7-O-[2-O-(E)-feruloyl]-β-D-glucopyranoside | 1374330-90-1

• 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: kaempferol 3-O-β-D-glucopyranosyl(1->4)-[α-Lrhamnopyranosyl(1->6)]-β-D-glucopyranoside-7-O-[2-O-(E)-feruloyl]-β-D-glucopyranoside
• 英文别名: [(2S,3R,4S,5S,6R)-2-[3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• CAS: 1374330-90-1
• 化学式: C₄₉H₅₈O₂₈
• 分子量: 1094.98
• InChiKey: OQTPZVAPEKYSSP-AZIAFIGPSA-N

物化性质

• 沸点：
  1328.6±65.0 °C(Predicted)
• 密度：
  1.74±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  77
• 可旋转键数：
  17
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  439
• 氢给体数：
  15
• 氢受体数：
  28

反应信息

• 作为反应物：
  描述：

  kaempferol 3-O-β-D-glucopyranosyl(1->4)-[α-Lrhamnopyranosyl(1->6)]-β-D-glucopyranoside-7-O-[2-O-(E)-feruloyl]-β-D-glucopyranoside 在 potassium hydroxide 作用下， 反应 7.0h， 以2 mg的产率得到阿魏酸
  参考文献：
  名称：

  New Flavonol Glycosides from Cardamine komarovii

  摘要：

  Seven new kaempferol glycosides (1 - 7), together with three known kaempferol glycosides (8 - 10), were isolated from a MeOH extract of Cardamine komarovii NAKAI (Cruciferae). The chemical structures of the new compounds (1 - 7) were determined on the basis of their MS, H-1-NMR, C-13-NMR, COSY, HMBC, NOESY and TOCSY data, and results of hydrolysis.

  DOI：

  10.3987/com-11-12330

文献信息

• New Flavonol Glycosides from Cardamine komarovii
  作者：Kang Ro Lee、Eun-Kyung Jeong、Sang Un Choi、Jongki Hong、Il Kyun Lee

  DOI：10.3987/com-11-12330

  日期：——

  Seven new kaempferol glycosides (1 - 7), together with three known kaempferol glycosides (8 - 10), were isolated from a MeOH extract of Cardamine komarovii NAKAI (Cruciferae). The chemical structures of the new compounds (1 - 7) were determined on the basis of their MS, H-1-NMR, C-13-NMR, COSY, HMBC, NOESY and TOCSY data, and results of hydrolysis.