(7,8,9,12,13,14,28,29,30,33,34,35-Dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl) 2-[[11-[2-[[11-formyl-3,4,16,17,18-pentahydroxy-10-[2-hydroxy-1,3-bis[(3,4,5-trihydroxybenzoyl)oxy]propyl]-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-20-yl]oxy]-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: (7,8,9,12,13,14,28,29,30,33,34,35-Dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl) 2-[[11-[2-[[11-formyl-3,4,16,17,18-pentahydroxy-10-[2-hydroxy-1,3-bis[(3,4,5-trihydroxybenzoyl)oxy]propyl]-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-20-yl]oxy]-3,4,5-trihydroxybenzoate
• 英文别名: (7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl) 2-[[11-[2-[[11-formyl-3,4,16,17,18-pentahydroxy-10-[2-hydroxy-1,3-bis[(3,4,5-trihydroxybenzoyl)oxy]propyl]-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-5-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,21,22-pentahydroxy-8,17-dioxo-14-(3,4,5-trihydroxybenzoyl)oxy-13-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-20-yl]oxy]-3,4,5-trihydroxybenzoate
• 化学式: C₁₁₆H₈₀O₇₄
• 分子量: 2657.8
• InChiKey: LMQLANVILPWSSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  190
• 可旋转键数：
  27
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  1250
• 氢给体数：
  41
• 氢受体数：
  74