gossypetin-3,8-dimethyl ether 5-O-β-D-glucopyranoside

• 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: gossypetin-3,8-dimethyl ether 5-O-β-D-glucopyranoside
• 英文别名: 2-(3,4-dihydroxyphenyl)-7-hydroxy-3,8-dimethoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
• 化学式: C₂₃H₂₄O₁₃
• 分子量: 508.436
• InChiKey: HRDAUXPFNNIQDO-BOPAVVEHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  205
• 氢给体数：
  7
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  gossypetin-3,8-dimethyl ether 5-O-β-D-glucopyranoside 在 acetate buffer 、 氢碘酸 、 β-glucosidase 、 苯酚 作用下， 反应 24.5h， 生成 棉花素
  参考文献：
  名称：

  Polyoxygenated flavonoids from Eugenia edulis

  摘要：

  Leaves of Eugenia edulis contain the new polyoxygenated flavonoid derivatives, gossypetin-3,8-dimethyl ether-5-O-beta-glucoside; gossypetin-3,5-dimethyl ether, and myricetin-3,5,3'-trimethyl ether. In addition, ten known polyphenolics were also isolated and identified. All structures were established on the basis of chemical and spectral evidence, including ESI-MS and C-13 NMR. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(03)00437-0

文献信息

• Polyoxygenated flavonoids from Eugenia edulis
  作者：Sahar A.M. Hussein、Amani N.M. Hashem、Mohammed A. Seliem、Ulrike Lindequist、Mahmoud A.M. Nawwar

  DOI：10.1016/s0031-9422(03)00437-0

  日期：2003.10

  Leaves of Eugenia edulis contain the new polyoxygenated flavonoid derivatives, gossypetin-3,8-dimethyl ether-5-O-beta-glucoside; gossypetin-3,5-dimethyl ether, and myricetin-3,5,3'-trimethyl ether. In addition, ten known polyphenolics were also isolated and identified. All structures were established on the basis of chemical and spectral evidence, including ESI-MS and C-13 NMR. (C) 2003 Elsevier Ltd. All rights reserved.