Ethyl 7,8,9,12,13,14,25,26,27,30,31,32,35,45-tetradecahydroxy-4,17,22,36,39,43-hexaoxo-3,18,21,40,42-pentaoxanonacyclo[27.12.3.137,41.02,20.05,10.011,16.023,28.033,44.034,38]pentatetraconta-5,7,9,11,13,15,23,25,27,29(44),30,32,37-tridecaene-35-carboxylate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: Ethyl 7,8,9,12,13,14,25,26,27,30,31,32,35,45-tetradecahydroxy-4,17,22,36,39,43-hexaoxo-3,18,21,40,42-pentaoxanonacyclo[27.12.3.137,41.02,20.05,10.011,16.023,28.033,44.034,38]pentatetraconta-5,7,9,11,13,15,23,25,27,29(44),30,32,37-tridecaene-35-carboxylate
• 化学式: C₄₃H₃₀O₂₇
• 分子量: 978.7
• InChiKey: WEVJRBBQIWRIDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  70
• 可旋转键数：
  3
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  458
• 氢给体数：
  14
• 氢受体数：
  27