[1-(11-Formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl)-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-14-[2,3,4-trihydroxy-6-[2,4,5-trihydroxy-6-oxo-1-(3,4,5-trihydroxybenzoyl)oxyhexan-3-yl]oxycarbonylphenoxy]-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-28-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: [1-(11-Formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl)-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-14-[2,3,4-trihydroxy-6-[2,4,5-trihydroxy-6-oxo-1-(3,4,5-trihydroxybenzoyl)oxyhexan-3-yl]oxycarbonylphenoxy]-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-28-yl]oxy]-3,4,5-trihydroxybenzoate
• 英文别名: [1-(11-formyl-3,4,5,16,17,18-hexahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-10-yl)-2-hydroxy-3-(3,4,5-trihydroxybenzoyl)oxypropyl] 2-[[7,8,9,12,13,29,30,33,34,35-decahydroxy-4,17,25,38-tetraoxo-20-(3,4,5-trihydroxybenzoyl)oxy-14-[2,3,4-trihydroxy-6-[2,4,5-trihydroxy-6-oxo-1-(3,4,5-trihydroxybenzoyl)oxyhexan-3-yl]oxycarbonylphenoxy]-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-28-yl]oxy]-3,4,5-trihydroxybenzoate
• 化学式: C₉₅H₇₀O₆₂
• 分子量: 2203.5
• InChiKey: HXJDZPMMHMFPFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  157
• 可旋转键数：
  28
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  1060
• 氢给体数：
  35
• 氢受体数：
  62