(1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-10-[[5-[(2-aminoethylamino)-hydroxymethyl]-2,5-dihydro-1H-triazol-3-ium-3-yl]methyl]-5,15,25,30,35-pentakis[[5-[(2-aminoethylamino)-hydroxymethyl]-1,2-dihydrotriazol-3-yl]methyl]-20-[[5-[(aminomethylamino)-hydroxymethyl]-1,2-dihydrotriazol-3-yl]methyl]-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3S,6S,8R,11S,13R,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-10-[[5-[(2-aminoethylamino)-hydroxymethyl]-2,5-dihydro-1H-triazol-3-ium-3-yl]methyl]-5,15,25,30,35-pentakis[[5-[(2-aminoethylamino)-hydroxymethyl]-1,2-dihydrotriazol-3-yl]methyl]-20-[[5-[(aminomethylamino)-hydroxymethyl]-1,2-dihydrotriazol-3-yl]methyl]-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
• 化学式: C76H146N35O35+
• 分子量: 2110.2
• InChiKey: GTCPVTUDOZNQTL-CPSIVSRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -21
• 重原子数：
  146
• 可旋转键数：
  41
• 环数：
  28.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  1010
• 氢给体数：
  49
• 氢受体数：
  69