(15,16,17,20,21,33,34,35,38,39,42,43,44-Tridecahydroxy-4,12,25,30,47-pentaoxo-5,8,11,26,29,40,48-heptaoxanonacyclo[20.17.9.03,37.07,28.010,27.013,18.019,24.031,36.041,46]octatetraconta-1(39),2,13,15,17,19,21,23,31,33,35,37,41,43,45-pentadecaen-9-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: (15,16,17,20,21,33,34,35,38,39,42,43,44-Tridecahydroxy-4,12,25,30,47-pentaoxo-5,8,11,26,29,40,48-heptaoxanonacyclo[20.17.9.03,37.07,28.010,27.013,18.019,24.031,36.041,46]octatetraconta-1(39),2,13,15,17,19,21,23,31,33,35,37,41,43,45-pentadecaen-9-yl) 3,4,5-trihydroxybenzoate
• 英文别名: (15,16,17,20,21,33,34,35,38,39,42,43,44-tridecahydroxy-4,12,25,30,47-pentaoxo-5,8,11,26,29,40,48-heptaoxanonacyclo[20.17.9.03,37.07,28.010,27.013,18.019,24.031,36.041,46]octatetraconta-1(39),2,13,15,17,19,21,23,31,33,35,37,41,43,45-pentadecaen-9-yl) 3,4,5-trihydroxybenzoate
• 化学式: C₄₈H₃₀O₃₀
• 分子量: 1086.7
• InChiKey: KIEOSZVDQBDZNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  78
• 可旋转键数：
  3
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  500
• 氢给体数：
  16
• 氢受体数：
  30