| 1318780-82-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• CAS: 1318780-82-3
• 化学式: C₃₀H₁₈O₁₃
• 分子量: 586.465
• InChiKey: CSGVJPJASSBXEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.67
• 重原子数：
  43.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  231.49
• 氢给体数：
  8.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  4',4''',5,5'',7,7''-hexahydroxy-3,3''-O-β-D-glucosyl-3',3'''-bisflavonoyl ether 在 盐酸 、 水 作用下， 反应 2.0h， 生成 葡萄糖 、
  参考文献：
  名称：

  UNIQUE PHENYL ETHER TYPE BIFLAVONOIDS, ZIZYFLAVOSIDES A AND B WITH BIOMIMETIC SYNTHESIS FOR ZIZYFLAVOSIDE A

  摘要：

  During our investigation of Zizyphus spina-christi (L.) Willd. leaves for anti-inflammatory activity, eight compounds were characterized. Two are new phenyl ether type biflavonoids, which were assigned as zizyflavosides A (1) and B (2). The structures of 1 and 2 were determined by spectroscopic analyses including ID, 2D NMR and MS spectroscopic and chemical data. The other isolated compounds were known flavonoids kaempferol-3-O-rutinoside (5), quercetin-3-O-rutinoside (6), 3`,5`-di-C-beta-D-glucosylphloretine (7), quercetin-3-O-[beta-D-xylosyl-(1 -> 2)-alpha-L-rhamnoside]-4`-O-alpha-L-rhamnoside (8), epiafzelechin (9) and quercetin-3-O-[beta-D-xylosyl-(1 -> 2)-alpha-L-rhamnoside] (10). Zizyflavoside A was synthesized from quercetin-3-O-rutinoside and kaempferol-3-O-rutinoside using laccase as an enzyme and this biomimetic synthesis could be indication to its biosynthetic pathway.

  DOI：

  10.3987/com-10-12002