[3,4,5,13,16,20,21,22-octahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14-dioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-12-yl] 2-[[10-[[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-hydroxymethyl]-11-(3,4,5,11,16,17,18-heptahydroxy-8-oxospiro[9-oxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-13,3'-dioxirane]-12-yl)-3,4,16,17,18-pentahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-5-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: [3,4,5,13,16,20,21,22-octahydroxy-8,17-dioxo-11-(3,4,5-trihydroxybenzoyl)oxy-9,14-dioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-12-yl] 2-[[10-[[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-hydroxymethyl]-11-(3,4,5,11,16,17,18-heptahydroxy-8-oxospiro[9-oxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-13,3'-dioxirane]-12-yl)-3,4,16,17,18-pentahydroxy-8,13-dioxo-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaen-5-yl]oxy]-3,4,5-trihydroxybenzoate
• 化学式: C₈₃H₆₂O₅₀
• 分子量: 1859.3
• InChiKey: FVLCAWDGZVYHOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  133
• 可旋转键数：
  12
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  875
• 氢给体数：
  32
• 氢受体数：
  50