[2-Hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 2-[[3,4,5,13,21,22-hexahydroxy-8,17-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14-dioxatetracyclo[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: [2-Hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 2-[[3,4,5,13,21,22-hexahydroxy-8,17-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14-dioxatetracyclo[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: [2-hydroxy-4,5-bis[(3,4,5-trihydroxybenzoyl)oxy]-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 2-[[3,4,5,13,21,22-hexahydroxy-8,17-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14-dioxatetracyclo[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: C₆₈H₅₂O₄₃
• 分子量: 1557.1
• InChiKey: QVBGRJFHOYPNGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  111
• 可旋转键数：
  21
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  735
• 氢给体数：
  25
• 氢受体数：
  43