7,8,9,12,13,14,26,29,30,31,34,35,36,45-Tetradecahydroxy-3,18,21,40,42-pentaoxanonacyclo[26.13.3.137,41.02,20.05,10.011,16.023,27.032,44.033,38]pentatetraconta-5,7,9,11,13,15,26,28,30,32(44),33(38),34,36-tridecaene-4,17,22,25,39,43-hexone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 7,8,9,12,13,14,26,29,30,31,34,35,36,45-Tetradecahydroxy-3,18,21,40,42-pentaoxanonacyclo[26.13.3.137,41.02,20.05,10.011,16.023,27.032,44.033,38]pentatetraconta-5,7,9,11,13,15,26,28,30,32(44),33(38),34,36-tridecaene-4,17,22,25,39,43-hexone
• 英文别名: 7,8,9,12,13,14,26,29,30,31,34,35,36,45-tetradecahydroxy-3,18,21,40,42-pentaoxanonacyclo[26.13.3.137,41.02,20.05,10.011,16.023,27.032,44.033,38]pentatetraconta-5,7,9,11,13,15,26,28,30,32(44),33(38),34,36-tridecaene-4,17,22,25,39,43-hexone
• 化学式: C₄₀H₂₆O₂₅
• 分子量: 906.6
• InChiKey: KKHSHLYWOCECQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  65
• 可旋转键数：
  0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  432
• 氢给体数：
  14
• 氢受体数：
  25