prunetin-4'-O-α-D-glucopyranoside | 1374458-04-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: prunetin-4'-O-α-D-glucopyranoside
• 英文别名: prunetrin；5-hydroxy-7-methoxy-3-[4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
• CAS: 1374458-04-4
• 化学式: C₂₂H₂₂O₁₀
• 分子量: 446.411
• InChiKey: OFUWGCQDMVDLIR-OSKXVONFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  155
• 氢给体数：
  5
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  prunetin-4'-O-α-D-glucopyranoside 、 乙酸酐 在 吡啶 作用下， 生成
  参考文献：
  名称：

  A new isoflavone glycoside from Trifolium pratense L.

  摘要：

  The isoflavonoid composition of red clover (Trifolium pratense L.) has been studied. The following compounds have been detected: cyclopolyol (+)-pinitol, not found in clover before; known isoflavones formononetin, prunetin, genistein, and prunetin-4'-O-beta-D-glucopyranoside; isoflavone monogalactosides formononetin-7-O-beta-D-galactopyranoside, inermin-3-O-beta-D-galactopyranoside, and genistein-7-O-beta-D-galactopyranoside; and a novel compound, prunetin-4'-alpha-D-glucopyranoside. The structures of these compounds have been proven by UV, IR, 1H NMR, 13C NMR, mass, and circular dichroism spectra. (+)-Pinitol is known to possess biological activity.

  DOI：

  10.1134/s1068162011070041