44-(3,4-Dihydroxyphenyl)-7,8,9,12,13,14,24,25,26,29,30,31,34,40,43-pentadecahydroxy-3,17,20,37,45,50,53-heptaoxadodecacyclo[26.21.3.333,49.111,15.02,19.05,10.022,27.032,52.036,48.038,47.041,46.036,55]hexapentaconta-5,7,9,11(56),12,14,22,24,26,28(52),29,31,33,38(47),39,41(46)-hexadecaene-4,16,21,35,51,54-hexone

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 44-(3,4-Dihydroxyphenyl)-7,8,9,12,13,14,24,25,26,29,30,31,34,40,43-pentadecahydroxy-3,17,20,37,45,50,53-heptaoxadodecacyclo[26.21.3.333,49.111,15.02,19.05,10.022,27.032,52.036,48.038,47.041,46.036,55]hexapentaconta-5,7,9,11(56),12,14,22,24,26,28(52),29,31,33,38(47),39,41(46)-hexadecaene-4,16,21,35,51,54-hexone
• 英文别名: 44-(3,4-dihydroxyphenyl)-7,8,9,12,13,14,24,25,26,29,30,31,34,40,43-pentadecahydroxy-3,17,20,37,45,50,53-heptaoxadodecacyclo[26.21.3.333,49.111,15.02,19.05,10.022,27.032,52.036,48.038,47.041,46.036,55]hexapentaconta-5,7,9,11(56),12,14,22,24,26,28(52),29,31,33,38(47),39,41(46)-hexadecaene-4,16,21,35,51,54-hexone
• 化学式: C₅₅H₃₆O₃₀
• 分子量: 1176.9
• InChiKey: WOSDYJCPAZNHHE-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