[4,5,6-Trihydroxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 2-[[35-[6-[[3,4,5,14,19,20,21-heptahydroxy-8,17-dioxo-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,5,16,17,18,21,22,36,37-decahydroxy-8,13,25,33-tetraoxo-28-(3,4,5-trihydroxybenzoyl)oxy-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.120,24.02,7.010,30.011,27.014,19]nonatriaconta-1(38),2,4,6,14,16,18,20(39),21,23,34,36-dodecaen-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: [4,5,6-Trihydroxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 2-[[35-[6-[[3,4,5,14,19,20,21-heptahydroxy-8,17-dioxo-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,5,16,17,18,21,22,36,37-decahydroxy-8,13,25,33-tetraoxo-28-(3,4,5-trihydroxybenzoyl)oxy-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.120,24.02,7.010,30.011,27.014,19]nonatriaconta-1(38),2,4,6,14,16,18,20(39),21,23,34,36-dodecaen-23-yl]oxy]-3,4,5-trihydroxybenzoate
• 英文别名: [4,5,6-trihydroxy-2-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-3-yl] 2-[[35-[6-[[3,4,5,14,19,20,21-heptahydroxy-8,17-dioxo-12-[(3,4,5-trihydroxybenzoyl)oxymethyl]-9,13,16-trioxatetracyclo[16.3.1.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl]oxycarbonyl]-2,3,4-trihydroxyphenoxy]-3,4,5,16,17,18,21,22,36,37-decahydroxy-8,13,25,33-tetraoxo-28-(3,4,5-trihydroxybenzoyl)oxy-9,12,26,29,32-pentaoxaheptacyclo[32.3.1.120,24.02,7.010,30.011,27.014,19]nonatriaconta-1(38),2,4,6,14,16,18,20(39),21,23,34,36-dodecaen-23-yl]oxy]-3,4,5-trihydroxybenzoate
• 化学式: C₉₅H₇₀O₆₂
• 分子量: 2203.5
• InChiKey: ZYXIYSCDSORTGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  157
• 可旋转键数：
  21
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  1040
• 氢给体数：
  35
• 氢受体数：
  62