山柰酚-3-O-(2"-O-Β-D-葡萄糖基)-Β-D–芸香糖苷 | 55696-58-7

• 物质功能分类: 生物 - 分析对照品、标准品
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 中文名称: 山柰酚-3-O-(2"-O-Β-D-葡萄糖基)-Β-D–芸香糖苷
• 英文名称: kaempferol 3-O-β-D-glucopyranosyl-(1→2)-[α-L-rhamnopyranosyl-(1→6)]-β-D-glucopyranoside
• 英文别名: kaempferol 3-(2G-glucosylrutinoside)；Kaempferol-3-O-(2''-O-beta-D-glucopyl)-beta-D-rutinoside；3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(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-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
• CAS: 55696-58-7
• 化学式: C₃₃H₄₀O₂₀
• 分子量: 756.669
• InChiKey: VNLOLXSJMINBIS-CFRIXVKNSA-N

物化性质

• 沸点：
  1097.2±65.0 °C(Predicted)
• 密度：
  1.79±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  53
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  324
• 氢给体数：
  12
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  kaempferol 3-O-(2^G-glucosylrutinoside)-7-O-glucoside 在 sweet almonds β-glucosidase 作用下， 以 水 为溶剂， 反应 168.0h， 以19 mg的产率得到山柰酚-3-O-(2"-O-Β-D-葡萄糖基)-Β-D–芸香糖苷
  参考文献：
  名称：

  Kaempferol glycosides from Hosta ventricosa

  摘要：

  Leaves of Hosta ventricosa yielded eight kaempferol glycosides, of which six: the 3-(2G-glucosylrutinoside)-7-glucoside, 3-sophoroside-7-glucoside, 3-rutinoside-7-glucoside, 3-(2G-glucosylrutinoside), 3-sophoroside, 3-rutinoside were fully characterized and two: the 3-xylosylrutinoside-7-glucoside and 3-xylosylrutinoside were tentatively identified. Investigations included 1H-1H COSY and 1H-1H 2D J NMR analysis.

  DOI：

  10.1016/0031-9422(90)85292-n

文献信息

• Kaempferol glycosides from Hosta ventricosa
  作者：Jaromir Budzianowski

  DOI：10.1016/0031-9422(90)85292-n

  日期：1990.1

  Leaves of Hosta ventricosa yielded eight kaempferol glycosides, of which six: the 3-(2G-glucosylrutinoside)-7-glucoside, 3-sophoroside-7-glucoside, 3-rutinoside-7-glucoside, 3-(2G-glucosylrutinoside), 3-sophoroside, 3-rutinoside were fully characterized and two: the 3-xylosylrutinoside-7-glucoside and 3-xylosylrutinoside were tentatively identified. Investigations included 1H-1H COSY and 1H-1H 2D J NMR analysis.