quercetin 3-O-α-L-(2,4-di-O-acetyl)rhamnopyranoside-7-O-α-L-rhamnopyranoside

• 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-α-L-(2,4-di-O-acetyl)rhamnopyranoside-7-O-α-L-rhamnopyranoside
• 英文别名: [(2R,3S,4S,5S,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate
• 化学式: C₃₁H₃₄O₁₇
• 分子量: 678.601
• InChiKey: MMSDPDLCMWWPQS-XGLBFQOKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  48
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  257
• 氢给体数：
  7
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  quercetin 3-O-α-L-(2,4-di-O-acetyl)rhamnopyranoside-7-O-α-L-rhamnopyranoside 生成 L-鼠李糖 、 槲皮素
  参考文献：
  名称：

  Two new acetylated flavonoid glycosides fromPhyllanthus urinaria

  摘要：

  Two new acetylated flavonoid glycosides, quercetin 3-O--l-(2,4-di-O-acetyl) rhamnopyranoside-7-O--l-rhamnopyranoside (1) and quercetin 3-O--l-(3,4-di-O-acetyl) rhamnopyranoside-7-O--l-rhamnopyranoside (2), together with two known compounds, quercetin (3) and quercetin 3-O--l-rhamnopyranoside (4), were isolated from the ethanol extract of Phyllanthus urinaria. The structures of the new compounds were determined on the basis of extensive spectroscopic data including IR, HR-ESI-MS, 1D NMR, and 2D NMR.

  DOI：

  10.1080/10286020.2013.794792