Euphorbin D | 128338-77-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: Euphorbin D
• 英文别名: [(1R,62R)-1,13,14,15,18,22,23,24,39,40,41,58,59,63,63-pentadecahydroxy-2,5,10,27,36,47,55-heptaoxo-32,33,52-tris[(3,4,5-trihydroxybenzoyl)oxy]-6,9,20,28,30,35,43,48,51,54,64-undecaoxadodecacyclo[58.3.1.04,62.07,50.08,53.011,16.017,46.019,44.021,26.029,34.037,42.056,61]tetrahexaconta-3,11,13,15,17,19(44),21,23,25,37,39,41,45,56,58,60-hexadecaen-31-yl]methyl 3,4,5-trihydroxybenzoate;[(1R,63R)-1,2,2,14,15,16,19,23,24,25,40,41,42,59,60-pentadecahydroxy-3,6,11,28,37,48,56-heptaoxo-33,34,53-tris[(3,4,5-trihydroxybenzoyl)oxy]-7,10,21,29,31,36,44,49,52,55,64-undecaoxadodecacyclo[59.2.1.05,63.08,51.09,54.012,17.018,47.020,45.022,27.030,35.038,43.057,62]tetrahexaconta-4,12,14,16,18,20(45),22,24,26,38,40,42,46,57,59,61-hexadecaen-32-yl]methyl 3,4,5-trihydroxybenzoate
• CAS: 128338-77-2
• 化学式: C164H112O106
• 分子量: 3778.6
• InChiKey: IWQMOXUVJMFHQV-OFLZJBCMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.77
• 重原子数：
  270
• 可旋转键数：
  26
• 环数：
  32.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  1740
• 氢给体数：
  54
• 氢受体数：
  106