(7,8,9,36,37,38,41,42,43-Nonahydroxy-4,12,25,33,46-pentaoxo-3,26,29,32,47-pentaoxa-14,21-diazanonacyclo[25.20.0.02,30.05,10.011,24.013,22.015,20.034,39.040,45]heptatetraconta-5,7,9,13,15,17,19,21,23,34,36,38,40,42,44-pentadecaen-28-yl) 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: (7,8,9,36,37,38,41,42,43-Nonahydroxy-4,12,25,33,46-pentaoxo-3,26,29,32,47-pentaoxa-14,21-diazanonacyclo[25.20.0.02,30.05,10.011,24.013,22.015,20.034,39.040,45]heptatetraconta-5,7,9,13,15,17,19,21,23,34,36,38,40,42,44-pentadecaen-28-yl) 3,4,5-trihydroxybenzoate
• 英文别名: (7,8,9,36,37,38,41,42,43-nonahydroxy-4,12,25,33,46-pentaoxo-3,26,29,32,47-pentaoxa-14,21-diazanonacyclo[25.20.0.02,30.05,10.011,24.013,22.015,20.034,39.040,45]heptatetraconta-5,7,9,13,15,17,19,21,23,34,36,38,40,42,44-pentadecaen-28-yl) 3,4,5-trihydroxybenzoate
• 化学式: C₄₇H₃₀N₂O₂₄
• 分子量: 1006.7
• InChiKey: MNDQTCDBJLXNSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  73
• 可旋转键数：
  3
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  426
• 氢给体数：
  12
• 氢受体数：
  26