[3,4,5,16,17,18-Hexahydroxy-8,13-dioxo-4'-(2,3,4-trihydroxybenzoyl)oxy-3'-(3,4,5-trihydroxybenzoyl)oxyspiro[9,11-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-10,5'-oxane]-2'-yl] 3,4,5-trihydroxy-2-[[3,4,5,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris[(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-21-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: [3,4,5,16,17,18-Hexahydroxy-8,13-dioxo-4'-(2,3,4-trihydroxybenzoyl)oxy-3'-(3,4,5-trihydroxybenzoyl)oxyspiro[9,11-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-10,5'-oxane]-2'-yl] 3,4,5-trihydroxy-2-[[3,4,5,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris[(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-21-yl]oxy]benzoate
• 英文别名: [3,4,5,16,17,18-hexahydroxy-8,13-dioxo-4'-(2,3,4-trihydroxybenzoyl)oxy-3'-(3,4,5-trihydroxybenzoyl)oxyspiro[9,11-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-10,5'-oxane]-2'-yl] 3,4,5-trihydroxy-2-[[3,4,5,22,23-pentahydroxy-8,18-dioxo-11,12,13-tris[(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-21-yl]oxy]benzoate
• 化学式: C₈₂H₅₈O₅₂
• 分子量: 1875.3
• InChiKey: ZJOZZYFESOZABH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  134
• 可旋转键数：
  20
• 环数：
  14.0
• 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