Acetic acid (2S,3R,4S,5S)-4,5-diacetoxy-2-[2-(2,2-diphenyl-benzo[1,3]dioxol-5-yl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yloxy]-tetrahydro-pyran-3-yl ester | 742062-22-2

• 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: Acetic acid (2S,3R,4S,5S)-4,5-diacetoxy-2-[2-(2,2-diphenyl-benzo[1,3]dioxol-5-yl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yloxy]-tetrahydro-pyran-3-yl ester
• CAS: 742062-22-2
• 化学式: C₃₉H₃₂O₁₄
• 分子量: 724.675
• InChiKey: XRSNEYKKFVYXMA-IMUKKTQISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.07
• 重原子数：
  53.0
• 可旋转键数：
  8.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  186.49
• 氢给体数：
  2.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  Acetic acid (2S,3R,4S,5S)-4,5-diacetoxy-2-[2-(2,2-diphenyl-benzo[1,3]dioxol-5-yl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yloxy]-tetrahydro-pyran-3-yl ester 在 palladium on activated charcoal 甲醇 、 氢气 、 sodium methylate 作用下， 生成 槲皮素-3-O-Alpha-L-吡喃阿拉伯糖苷
  参考文献：
  名称：

  Synthesis and biological evaluation of flavonoids as vasorelaxant agents

  摘要：

  Several 5,7-dihydroxyflavone and quercetin 3-O-glycosides have been synthesized and evaluated for vasorelaxant activity. A logP-activity relationship amongst flavonoids was suggested. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.061
• 作为产物：
  描述：

  二氯二苯甲烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.08h， 生成 Acetic acid (2S,3R,4S,5S)-4,5-diacetoxy-2-[2-(2,2-diphenyl-benzo[1,3]dioxol-5-yl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yloxy]-tetrahydro-pyran-3-yl ester
  参考文献：
  名称：

  Synthesis and biological evaluation of flavonoids as vasorelaxant agents

  摘要：

  Several 5,7-dihydroxyflavone and quercetin 3-O-glycosides have been synthesized and evaluated for vasorelaxant activity. A logP-activity relationship amongst flavonoids was suggested. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.061