N-[2-(2-aminoethylamino)ethyl]-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48S)-10,15,20,25,30,35-hexakis[[3-[2-(2-aminoethylamino)ethylamino]-3-oxopropyl]sulfanylmethyl]-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]methylsulfanyl]propanamide;2-[[(1S,3S,6S,8R,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-25-(2-aminoethylsulfanylmethyl)-15,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-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]methylsulfanyl]ethyl-(1,8-diamino-8-methylazaniumylideneoctylidene)azanium;dichloride

• 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]-3-[[(1S,3R,6S,8S,11S,13S,16S,18S,21S,23S,26S,28S,31S,33R,36R,38R,40R,42R,44R,46R,48S)-10,15,20,25,30,35-hexakis[[3-[2-(2-aminoethylamino)ethylamino]-3-oxopropyl]sulfanylmethyl]-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]methylsulfanyl]propanamide;2-[[(1S,3S,6S,8R,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38R,40R,42R,44R,46R,48R)-25-(2-aminoethylsulfanylmethyl)-15,36,37,38,39,40,41,42,43,44,45,46,47,48,49-pentadecahydroxy-10,20,30,35-tetrakis(hydroxymethyl)-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]methylsulfanyl]ethyl-(1,8-diamino-8-methylazaniumylideneoctylidene)azanium;dichloride
• 化学式: C145H272Cl2N26O68S9
• 分子量: 3827.4
• InChiKey: VXDOKYJTKVQQGI-DMPSAQAGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -38.64
• 重原子数：
  250
• 可旋转键数：
  90
• 环数：
  29.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  1730
• 氢给体数：
  59
• 氢受体数：
  94