(6,7,8,11,17,18,19,36,37,38,41,42,43-Tridecahydroxy-3,14,25,33,46-pentaoxo-2,13,21,26,29,32,47-heptaoxanonacyclo[26.20.0.04,9.010,24.012,22.015,20.031,48.034,39.040,45]octatetraconta-4,6,8,10,12(22),15,17,19,23,34,36,38,40,42,44-pentadecaen-30-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: (6,7,8,11,17,18,19,36,37,38,41,42,43-Tridecahydroxy-3,14,25,33,46-pentaoxo-2,13,21,26,29,32,47-heptaoxanonacyclo[26.20.0.04,9.010,24.012,22.015,20.031,48.034,39.040,45]octatetraconta-4,6,8,10,12(22),15,17,19,23,34,36,38,40,42,44-pentadecaen-30-yl) 3,4,5-trihydroxybenzoate
• 化学式: C₄₈H₃₀O₃₀
• 分子量: 1086.7
• InChiKey: RTQHFRKOVFGQFQ-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