[4-Acetyloxy-2-[2-[2,3-dihydroxy-5-[(7,8,9,12,13,14,28,30,33,34,35-undecahydroxy-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(31),27,29,32,34,36-dodecaen-20-yl)oxycarbonyl]phenoxy]-3,4,5-trihydroxybenzoyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxy-2-(2,3,4-trihydroxyphenyl)benzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: [4-Acetyloxy-2-[2-[2,3-dihydroxy-5-[(7,8,9,12,13,14,28,30,33,34,35-undecahydroxy-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(31),27,29,32,34,36-dodecaen-20-yl)oxycarbonyl]phenoxy]-3,4,5-trihydroxybenzoyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxy-2-(2,3,4-trihydroxyphenyl)benzoate
• 英文别名: [4-acetyloxy-2-[2-[2,3-dihydroxy-5-[(7,8,9,12,13,14,28,30,33,34,35-undecahydroxy-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(31),27,29,32,34,36-dodecaen-20-yl)oxycarbonyl]phenoxy]-3,4,5-trihydroxybenzoyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxy-2-(2,3,4-trihydroxyphenyl)benzoate
• 化学式: C₆₉H₅₂O₄₃
• 分子量: 1569.1
• InChiKey: FSKFJASXGVYCPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  112
• 可旋转键数：
  15
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  724
• 氢给体数：
  24
• 氢受体数：
  43