3-O-β-D-glucopyranosyl-4/-O-(3'''-O-dihydrophaseoyl-β-D-glucopyranosyl)rhamnocitrin | 142449-94-3

• 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: 3-O-β-D-glucopyranosyl-4/-O-(3'''-O-dihydrophaseoyl-β-D-glucopyranosyl)rhamnocitrin
• 英文别名: [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[4-[5-hydroxy-7-methoxy-4-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]phenoxy]-6-(hydroxymethyl)oxan-4-yl] (2Z,4E)-5-[(1R,3S,5S,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpenta-2,4-dienoate
• CAS: 142449-94-3
• 化学式: C₄₃H₅₂O₂₀
• 分子量: 888.874
• InChiKey: LOZSDYKADWUMPL-DHTABPBPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  63
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  310
• 氢给体数：
  10
• 氢受体数：
  20

反应信息

• 作为反应物：
  描述：

  3-O-β-D-glucopyranosyl-4/-O-(3'''-O-dihydrophaseoyl-β-D-glucopyranosyl)rhamnocitrin 在 acetate buffer 作用下， 反应 38.0h， 以9 mg的产率得到
  参考文献：
  名称：

  Studies on the constituents of leguminous plants. Part XXX. Structures of Three New Acylated Flavonol Glycosides from Astragalus complanatus R. Br.

  摘要：

  Three new acylated flavonol glycosides (1-3) were isolated from Astragali Semen, seeds of Astragalus complanatus R. BR. (leguminosae). The structures of 1, 2 and 3 were elucidated as 3-O-β-D-glucopyranosyl-4'-O-(3‴-O-dihydrophaseoyl-β-D-glucopyranosyl) rhamnocitrin, 3-O-[5‴-O-p-coumaroyl-β-D-apiofuranosyl(1‴→2")-β-D-glucopyranosyl] rhamnocitrin and 3-O-[5'''-O- feruloyl-β-D-apiofuranosyl(1‴→2")-β-D-glucopyranosyl] rhamnocitrin, respectively.

  DOI：

  10.1248/cpb.40.1943