N-[2-(2-aminoethylamino)ethyl]-1-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-20,30-bis[[4-[2-(2-aminoethylamino)ethylcarbamoyl]-2H-triazol-1-ium-1-yl]methyl]-10,15,25,35-tetrakis[[4-[2-(2-aminoethylamino)ethylcarbamoyl]triazol-1-yl]methyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]triazole-4-carboxamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-[2-(2-aminoethylamino)ethyl]-1-[[(1S,3R,6S,8S,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-20,30-bis[[4-[2-(2-aminoethylamino)ethylcarbamoyl]-2H-triazol-1-ium-1-yl]methyl]-10,15,25,35-tetrakis[[4-[2-(2-aminoethylamino)ethylcarbamoyl]triazol-1-yl]methyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]triazole-4-carboxamide
• 化学式: C91H156N42O35+2
• 分子量: 2398.5
• InChiKey: JLNZMBDUJFEUFV-FRYHMLEUSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  -25.5
• 重原子数：
  168
• 可旋转键数：
  56
• 环数：
  28.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  1100
• 氢给体数：
  37
• 氢受体数：
  61