(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-[5-[[4,5,6,9,10,11-hexahydroxy-17,18-bis[(3,4,5-trihydroxybenzoyl)oxy]-15,20,23-trioxapentacyclo[12.9.0.02,7.08,13.016,21]tricosa-1(14),2,4,6,8,10,12-heptaen-19-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-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-[5-[[4,5,6,9,10,11-hexahydroxy-17,18-bis[(3,4,5-trihydroxybenzoyl)oxy]-15,20,23-trioxapentacyclo[12.9.0.02,7.08,13.016,21]tricosa-1(14),2,4,6,8,10,12-heptaen-19-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-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-[5-[[4,5,6,9,10,11-hexahydroxy-17,18-bis[(3,4,5-trihydroxybenzoyl)oxy]-15,20,23-trioxapentacyclo[12.9.0.02,7.08,13.016,21]tricosa-1(14),2,4,6,8,10,12-heptaen-19-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
• 化学式: C₈₂H₅₆O₅₀
• 分子量: 1841.3
• InChiKey: NYVCMROWMXMBDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  132
• 可旋转键数：
  14
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  843
• 氢给体数：
  29
• 氢受体数：
  50