(8,9,10,13,14,20,21,22,26,27,30,31,32,47-Tetradecahydroxy-5,17,35,40,45-pentaoxo-4,16,24,36,39,46-hexaoxanonacyclo[23.11.6.42,15.13,7.06,11.018,23.028,41.029,34.012,44]heptatetraconta-6(11),7,9,12,14,18,20,22,25,27,29,31,33,41,43-pentadecaen-37-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: (8,9,10,13,14,20,21,22,26,27,30,31,32,47-Tetradecahydroxy-5,17,35,40,45-pentaoxo-4,16,24,36,39,46-hexaoxanonacyclo[23.11.6.42,15.13,7.06,11.018,23.028,41.029,34.012,44]heptatetraconta-6(11),7,9,12,14,18,20,22,25,27,29,31,33,41,43-pentadecaen-37-yl) 3,4,5-trihydroxybenzoate
• 英文别名: (8,9,10,13,14,20,21,22,26,27,30,31,32,47-tetradecahydroxy-5,17,35,40,45-pentaoxo-4,16,24,36,39,46-hexaoxanonacyclo[23.11.6.42,15.13,7.06,11.018,23.028,41.029,34.012,44]heptatetraconta-6(11),7,9,12,14,18,20,22,25,27,29,31,33,41,43-pentadecaen-37-yl) 3,4,5-trihydroxybenzoate
• 化学式: C₄₈H₃₀O₃₀
• 分子量: 1086.7
• InChiKey: XIWUACBCVBPAGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  78
• 可旋转键数：
  3
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  511
• 氢给体数：
  17
• 氢受体数：
  30