[3,4,5,17,18,19-Hexahydroxy-10-(2,3,4,7,8,9,17,19-octahydroxy-12-oxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: [3,4,5,17,18,19-Hexahydroxy-10-(2,3,4,7,8,9,17,19-octahydroxy-12-oxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
• 英文别名: [3,4,5,17,18,19-hexahydroxy-10-(2,3,4,7,8,9,17,19-octahydroxy-12-oxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl] 3,4,5-trihydroxybenzoate
• 化学式: C₄₁H₃₀O₂₆
• 分子量: 938.7
• InChiKey: FLNHXEZFTAKTID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  67
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  458
• 氢给体数：
  17
• 氢受体数：
  26