[4,5,6,12,20,21,22,25,26,30,31,32,38,46,47,48,51,52-Octadecahydroxy-9,17,35,43,55,61-hexaoxo-64-(3,4,5-trihydroxybenzoyl)oxy-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[38.12.5.514,27.111,15.137,41.03,8.018,23.029,34.044,49.050,54.024,60]tetrahexaconta-1(52),3,5,7,18,20,22,24,26,29,31,33,44,46,48,50,53,59-octadecaen-58-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: [4,5,6,12,20,21,22,25,26,30,31,32,38,46,47,48,51,52-Octadecahydroxy-9,17,35,43,55,61-hexaoxo-64-(3,4,5-trihydroxybenzoyl)oxy-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[38.12.5.514,27.111,15.137,41.03,8.018,23.029,34.044,49.050,54.024,60]tetrahexaconta-1(52),3,5,7,18,20,22,24,26,29,31,33,44,46,48,50,53,59-octadecaen-58-yl] 3,4,5-trihydroxybenzoate
• 英文别名: [4,5,6,12,20,21,22,25,26,30,31,32,38,46,47,48,51,52-octadecahydroxy-9,17,35,43,55,61-hexaoxo-64-(3,4,5-trihydroxybenzoyl)oxy-2,10,13,16,28,36,39,42,56,62-decaoxaundecacyclo[38.12.5.514,27.111,15.137,41.03,8.018,23.029,34.044,49.050,54.024,60]tetrahexaconta-1(52),3,5,7,18,20,22,24,26,29,31,33,44,46,48,50,53,59-octadecaen-58-yl] 3,4,5-trihydroxybenzoate
• 化学式: C₆₈H₄₈O₄₄
• 分子量: 1569.1
• InChiKey: FKDGTSOWCVJMQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  112
• 可旋转键数：
  6
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  733
• 氢给体数：
  24
• 氢受体数：
  44