[2,4,5-Tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 2-[[3,3,4,16,17,18,21,22,36,37-decahydroxy-5,8,13,26,34-pentaoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33,40-hexaoxaoctacyclo[33.3.1.14,38.02,7.010,29.011,32.014,19.020,25]tetraconta-1(39),6,14,16,18,20,22,24,35,37-decaen-23-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: [2,4,5-Tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 2-[[3,3,4,16,17,18,21,22,36,37-decahydroxy-5,8,13,26,34-pentaoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33,40-hexaoxaoctacyclo[33.3.1.14,38.02,7.010,29.011,32.014,19.020,25]tetraconta-1(39),6,14,16,18,20,22,24,35,37-decaen-23-yl]oxy]-3,4,5-trihydroxybenzoate
• 英文别名: [2,4,5-tris[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 2-[[3,3,4,16,17,18,21,22,36,37-decahydroxy-5,8,13,26,34-pentaoxo-31-(3,4,5-trihydroxybenzoyl)oxy-9,12,27,30,33,40-hexaoxaoctacyclo[33.3.1.14,38.02,7.010,29.011,32.014,19.020,25]tetraconta-1(39),6,14,16,18,20,22,24,35,37-decaen-23-yl]oxy]-3,4,5-trihydroxybenzoate
• 化学式: C₈₂H₅₈O₅₃
• 分子量: 1891.3
• InChiKey: GJBZRMBOPNLSBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  135
• 可旋转键数：
  21
• 环数：
  15.0
• 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