[10-(2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,16,17,18,21,22,33,34-decahydroxy-8,13,25,30-tetraoxo-9,24,31-trioxaheptacyclo[24.8.0.02,7.014,19.020,29.023,28.027,32]tetratriaconta-1(34),2,4,6,14,16,18,20,22,26,28,32-dodecaen-11-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: [10-(2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,16,17,18,21,22,33,34-decahydroxy-8,13,25,30-tetraoxo-9,24,31-trioxaheptacyclo[24.8.0.02,7.014,19.020,29.023,28.027,32]tetratriaconta-1(34),2,4,6,14,16,18,20,22,26,28,32-dodecaen-11-yl] 3,4,5-trihydroxybenzoate
• 英文别名: [10-(2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,16,17,18,21,22,33,34-decahydroxy-8,13,25,30-tetraoxo-9,24,31-trioxaheptacyclo[24.8.0.02,7.014,19.020,29.023,28.027,32]tetratriaconta-1(34),2,4,6,14,16,18,20,22,26,28,32-dodecaen-11-yl] 3,4,5-trihydroxybenzoate
• 化学式: C₅₅H₃₂O₃₃
• 分子量: 1220.8
• InChiKey: DWPLSWUWIQCXHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  88
• 可旋转键数：
  4
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  580
• 氢给体数：
  20
• 氢受体数：
  33