[4-[7-(3,4-Dihydroxyphenyl)-5-oxo-3-(3,4,5-trihydroxyoxan-2-yl)oxyheptyl]-2-hydroxyphenyl] 2-[(7,8,9,12,13,14,20,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-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-[7-(3,4-Dihydroxyphenyl)-5-oxo-3-(3,4,5-trihydroxyoxan-2-yl)oxyheptyl]-2-hydroxyphenyl] 2-[(7,8,9,12,13,14,20,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl)oxy]-3,4,5-trihydroxybenzoate
• 英文别名: [4-[7-(3,4-dihydroxyphenyl)-5-oxo-3-(3,4,5-trihydroxyoxan-2-yl)oxyheptyl]-2-hydroxyphenyl] 2-[(7,8,9,12,13,14,20,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-28-yl)oxy]-3,4,5-trihydroxybenzoate
• 化学式: C₆₅H₅₆O₃₆
• 分子量: 1413.1
• InChiKey: KADUMKDGTUVTMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  101
• 可旋转键数：
  15
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  610
• 氢给体数：
  21
• 氢受体数：
  36