6-[[10-(2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl]oxy]-22-[3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-7,12,15,16,17-pentahydroxy-11,20,24-trioxo-9,21,23-trioxahexacyclo[11.9.3.02,10.03,8.010,25.014,19]pentacosa-3(8),4,6,12,14,16,18-heptaene-4-carboxylic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 6-[[10-(2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl]oxy]-22-[3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-7,12,15,16,17-pentahydroxy-11,20,24-trioxo-9,21,23-trioxahexacyclo[11.9.3.02,10.03,8.010,25.014,19]pentacosa-3(8),4,6,12,14,16,18-heptaene-4-carboxylic acid
• 英文别名: 6-[[10-(2,3,4,7,8,9,19-heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl)-3,4,5,17,18,19-hexahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-11-yl]oxy]-22-[3,4,5,17,18,19-hexahydroxy-8,14-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-7,12,15,16,17-pentahydroxy-11,20,24-trioxo-9,21,23-trioxahexacyclo[11.9.3.02,10.03,8.010,25.014,19]pentacosa-3(8),4,6,12,14,16,18-heptaene-4-carboxylic acid
• 化学式: C₈₁H₅₂O₅₀
• 分子量: 1825.2
• InChiKey: MURVYXJZJMPPLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  131
• 可旋转键数：
  8
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  856
• 氢给体数：
  28
• 氢受体数：
  50