43-(3,4-Dihydroxyphenyl)-7,8,9,12,13,14,25,26,27,30,31,32,35,42,47-pentadecahydroxy-3,18,21,38,44,51,54-heptaoxadodecacyclo[27.21.3.334,50.02,20.05,10.011,16.023,28.033,53.037,49.039,48.040,45.037,56]hexapentaconta-5,7,9,11,13,15,23,25,27,29(53),30,32,34,39(48),40(45),46-hexadecaene-4,17,22,36,52,55-hexone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 43-(3,4-Dihydroxyphenyl)-7,8,9,12,13,14,25,26,27,30,31,32,35,42,47-pentadecahydroxy-3,18,21,38,44,51,54-heptaoxadodecacyclo[27.21.3.334,50.02,20.05,10.011,16.023,28.033,53.037,49.039,48.040,45.037,56]hexapentaconta-5,7,9,11,13,15,23,25,27,29(53),30,32,34,39(48),40(45),46-hexadecaene-4,17,22,36,52,55-hexone
• 英文别名: 43-(3,4-dihydroxyphenyl)-7,8,9,12,13,14,25,26,27,30,31,32,35,42,47-pentadecahydroxy-3,18,21,38,44,51,54-heptaoxadodecacyclo[27.21.3.334,50.02,20.05,10.011,16.023,28.033,53.037,49.039,48.040,45.037,56]hexapentaconta-5,7,9,11,13,15,23,25,27,29(53),30,32,34,39(48),40(45),46-hexadecaene-4,17,22,36,52,55-hexone
• 化学式: C₅₅H₃₆O₃₀
• 分子量: 1176.9
• InChiKey: RPBLSHQREQHARI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  85
• 可旋转键数：
  1
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  511
• 氢给体数：
  17
• 氢受体数：
  30