[3,4,5,21,22,23-Hexahydroxy-8,18-dioxo-11,13-bis[(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-[[8,9,10,13,14,27,28,29,32,33,34-undecahydroxy-5,18,24,37-tetraoxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,4,19,23,38-pentaoxaheptacyclo[20.17.0.03,20.06,11.012,17.025,30.031,36]nonatriaconta-6,8,10,12,14,16,25,27,29,31,33,35-dodecaen-15-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: [3,4,5,21,22,23-Hexahydroxy-8,18-dioxo-11,13-bis[(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-[[8,9,10,13,14,27,28,29,32,33,34-undecahydroxy-5,18,24,37-tetraoxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,4,19,23,38-pentaoxaheptacyclo[20.17.0.03,20.06,11.012,17.025,30.031,36]nonatriaconta-6,8,10,12,14,16,25,27,29,31,33,35-dodecaen-15-yl]oxy]benzoate
• 英文别名: [3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,13-bis[(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-[[8,9,10,13,14,27,28,29,32,33,34-undecahydroxy-5,18,24,37-tetraoxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,4,19,23,38-pentaoxaheptacyclo[20.17.0.03,20.06,11.012,17.025,30.031,36]nonatriaconta-6,8,10,12,14,16,25,27,29,31,33,35-dodecaen-15-yl]oxy]benzoate
• 化学式: C₈₂H₅₆O₅₂
• 分子量: 1873.3
• InChiKey: FLPCODRBPBQITI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  134
• 可旋转键数：
  14
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  877
• 氢给体数：
  29
• 氢受体数：
  52