4,5,6,17,18,19,22,23,24,30,38,39,45,46-Tetradecahydroxy-2,10,13,28,31,34,41-heptaoxanonacyclo[34.10.2.03,8.011,32.012,29.015,20.021,26.040,48.043,47]octatetraconta-1(47),3,5,7,15,17,19,21,23,25,36,38,40(48),43,45-pentadecaene-9,14,27,35,42-pentone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 4,5,6,17,18,19,22,23,24,30,38,39,45,46-Tetradecahydroxy-2,10,13,28,31,34,41-heptaoxanonacyclo[34.10.2.03,8.011,32.012,29.015,20.021,26.040,48.043,47]octatetraconta-1(47),3,5,7,15,17,19,21,23,25,36,38,40(48),43,45-pentadecaene-9,14,27,35,42-pentone
• 化学式: C₄₁H₂₆O₂₆
• 分子量: 934.6
• InChiKey: CRBXXKOLQPIQBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  67
• 可旋转键数：
  0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  433
• 氢给体数：
  14
• 氢受体数：
  26