[4,5,6,12,20,21,22,25,30,31,31,38,46,47,48,51,52-Heptadecahydroxy-9,17,32,35,43,55,62-heptaoxo-65-(3,4,5-trihydroxybenzoyl)oxy-2,10,13,16,28,36,39,42,56,59,63-undecaoxadodecacyclo[35.15.6.514,27.111,15.126,30.03,8.018,23.029,34.040,57.044,49.050,54.024,61]pentahexaconta-1(52),3,5,7,18,20,22,24,26,33,44,46,48,50,53,60-hexadecaen-58-yl] 3,4,5-trihydroxybenzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: [4,5,6,12,20,21,22,25,30,31,31,38,46,47,48,51,52-Heptadecahydroxy-9,17,32,35,43,55,62-heptaoxo-65-(3,4,5-trihydroxybenzoyl)oxy-2,10,13,16,28,36,39,42,56,59,63-undecaoxadodecacyclo[35.15.6.514,27.111,15.126,30.03,8.018,23.029,34.040,57.044,49.050,54.024,61]pentahexaconta-1(52),3,5,7,18,20,22,24,26,33,44,46,48,50,53,60-hexadecaen-58-yl] 3,4,5-trihydroxybenzoate
• 英文别名: [4,5,6,12,20,21,22,25,30,31,31,38,46,47,48,51,52-heptadecahydroxy-9,17,32,35,43,55,62-heptaoxo-65-(3,4,5-trihydroxybenzoyl)oxy-2,10,13,16,28,36,39,42,56,59,63-undecaoxadodecacyclo[35.15.6.514,27.111,15.126,30.03,8.018,23.029,34.040,57.044,49.050,54.024,61]pentahexaconta-1(52),3,5,7,18,20,22,24,26,33,44,46,48,50,53,60-hexadecaen-58-yl] 3,4,5-trihydroxybenzoate
• 化学式: C₆₈H₄₈O₄₅
• 分子量: 1585.1
• InChiKey: ZUUBAZCPNZSNGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  113
• 可旋转键数：
  6
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  739
• 氢给体数：
  23
• 氢受体数：
  45