[3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 3,4,5-trihydroxy-2-[[4,5,6,11,20,26,30,31,32,38,47,48,51,52-tetradecahydroxy-8,16,21,35,43,55,60-heptaoxo-58,63-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,9,12,15,24,28,36,39,42,56,61-undecaoxadodecacyclo[35.15.6.410,23.13,7.117,27.018,25.019,23.029,34.040,57.044,49.050,54.013,62]tetrahexaconta-1(52),3,5,7(64),17(59),18(25),19,26,29,31,33,44,46,48,50,53-hexadecaen-46-yl]oxy]benzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: [3,4,5,13,21,22,23-Heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 3,4,5-trihydroxy-2-[[4,5,6,11,20,26,30,31,32,38,47,48,51,52-tetradecahydroxy-8,16,21,35,43,55,60-heptaoxo-58,63-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,9,12,15,24,28,36,39,42,56,61-undecaoxadodecacyclo[35.15.6.410,23.13,7.117,27.018,25.019,23.029,34.040,57.044,49.050,54.013,62]tetrahexaconta-1(52),3,5,7(64),17(59),18(25),19,26,29,31,33,44,46,48,50,53-hexadecaen-46-yl]oxy]benzoate
• 英文别名: [3,4,5,13,21,22,23-heptahydroxy-8,18-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 3,4,5-trihydroxy-2-[[4,5,6,11,20,26,30,31,32,38,47,48,51,52-tetradecahydroxy-8,16,21,35,43,55,60-heptaoxo-58,63-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,9,12,15,24,28,36,39,42,56,61-undecaoxadodecacyclo[35.15.6.410,23.13,7.117,27.018,25.019,23.029,34.040,57.044,49.050,54.013,62]tetrahexaconta-1(52),3,5,7(64),17(59),18(25),19,26,29,31,33,44,46,48,50,53-hexadecaen-46-yl]oxy]benzoate
• 化学式: C₁₀₁H₇₀O₆₅
• 分子量: 2323.6
• InChiKey: LLDPRQMEQYRONY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  166
• 可旋转键数：
  14
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  1060
• 氢给体数：
  33
• 氢受体数：
  65