(1S,3S,6S,8S,11S,13S,16S,18S,21S,23R,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-20-(2-aminoethylsulfanylmethyl)-5-ethyl-10,15,25,30,35-pentakis(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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28R,31S,33S,36R,38R,40R,42R,44R,46R,48R)-30-(2-aminoethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,35-pentakis(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-10-yl]methylsulfanyl]ethyl-[1,3-diamino-3-(2-methylsulfanylethylazaniumylidene)propylidene]azanium;(1S,3R,6S,8S,11S,13S,16S,18S,21S,23R,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-5,20-bis(2-aminoethylsulfanylmethyl)-10,15,25,30,35-pentakis(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]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,8S,11S,13S,16S,18S,21S,23R,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-20-(2-aminoethylsulfanylmethyl)-5-ethyl-10,15,25,30,35-pentakis(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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;2-[[(1S,3S,6S,8S,11S,13R,16S,18R,21S,23R,26S,28R,31S,33S,36R,38R,40R,42R,44R,46R,48R)-30-(2-aminoethylsulfanylmethyl)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,35-pentakis(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-10-yl]methylsulfanyl]ethyl-[1,3-diamino-3-(2-methylsulfanylethylazaniumylidene)propylidene]azanium;(1S,3R,6S,8S,11S,13S,16S,18S,21S,23R,26S,28R,31S,33R,36R,38R,40R,42R,44R,46R,48R)-5,20-bis(2-aminoethylsulfanylmethyl)-10,15,25,30,35-pentakis(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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol
• 化学式: C143H250N8O99S6+2
• 分子量: 3857.9
• InChiKey: KCOFHMSLCPYRFP-OGFCQIRASA-P

计算性质

• 辛醇/水分配系数(LogP)：
  -44.11
• 重原子数：
  256
• 可旋转键数：
  42
• 环数：
  37.0
• sp3杂化的碳原子比例：
  0.99
• 拓扑面积：
  1880
• 氢给体数：
  65
• 氢受体数：
  109