[6,7,8,11,12,13-Hexahydroxy-3,16-dioxo-21,23-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-22-yl] 2-[5-[[22-[2-[5-[[6,7,8,11,12,13-hexahydroxy-3,16-dioxo-22,23-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoyl]oxy-6,7,8,11,12,13-hexahydroxy-3,16-dioxo-23-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-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: [6,7,8,11,12,13-Hexahydroxy-3,16-dioxo-21,23-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-22-yl] 2-[5-[[22-[2-[5-[[6,7,8,11,12,13-hexahydroxy-3,16-dioxo-22,23-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoyl]oxy-6,7,8,11,12,13-hexahydroxy-3,16-dioxo-23-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl]oxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
• 化学式: C₁₂₃H₈₆O₇₈
• 分子量: 2811.9
• InChiKey: HSCDBNUOTIQPPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  201
• 可旋转键数：
  31
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  1310
• 氢给体数：
  43
• 氢受体数：
  78