(7,8,12,13,13,25,26,27,30,31,32-Undecahydroxy-4,14,17,22,35-pentaoxo-3,18,21,36,38,40-hexaoxaoctacyclo[18.17.1.12,19.19,12.05,10.011,16.023,28.029,34]tetraconta-5,7,9,15,23,25,27,29,31,33-decaen-39-yl) 2-[5-[[6,7,8,11,12,13-hexahydroxy-3,16-dioxo-20,21-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,23-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-22-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: (7,8,12,13,13,25,26,27,30,31,32-Undecahydroxy-4,14,17,22,35-pentaoxo-3,18,21,36,38,40-hexaoxaoctacyclo[18.17.1.12,19.19,12.05,10.011,16.023,28.029,34]tetraconta-5,7,9,15,23,25,27,29,31,33-decaen-39-yl) 2-[5-[[6,7,8,11,12,13-hexahydroxy-3,16-dioxo-20,21-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,23-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-22-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
• 英文别名: (7,8,12,13,13,25,26,27,30,31,32-undecahydroxy-4,14,17,22,35-pentaoxo-3,18,21,36,38,40-hexaoxaoctacyclo[18.17.1.12,19.19,12.05,10.011,16.023,28.029,34]tetraconta-5,7,9,15,23,25,27,29,31,33-decaen-39-yl) 2-[5-[[6,7,8,11,12,13-hexahydroxy-3,16-dioxo-20,21-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,23-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-22-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
• 化学式: C₈₂H₅₆O₅₃
• 分子量: 1889.3
• InChiKey: SOZOQEAJABWZAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  135
• 可旋转键数：
  14
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  883
• 氢给体数：
  28
• 氢受体数：
  53