2-(4-Amino-5-hydroxy-6-methyloxan-2-yl)oxy-5-chloro-20,23,26,32,35,37,42,44-octahydroxy-19-[[1-hydroxy-2-(methylamino)-2-[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]ethylidene]amino]-22-(4-hydroxyphenyl)-18,48-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14(47),15,17(46),20,23,26,29(45),30,32,34(39),35,37,41,43,49-icosaene-40-carboxylic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-(4-Amino-5-hydroxy-6-methyloxan-2-yl)oxy-5-chloro-20,23,26,32,35,37,42,44-octahydroxy-19-[[1-hydroxy-2-(methylamino)-2-[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]ethylidene]amino]-22-(4-hydroxyphenyl)-18,48-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14(47),15,17(46),20,23,26,29(45),30,32,34(39),35,37,41,43,49-icosaene-40-carboxylic acid
• 英文别名: 2-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-5-chloro-20,23,26,32,35,37,42,44-octahydroxy-19-[[1-hydroxy-2-(methylamino)-2-[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]ethylidene]amino]-22-(4-hydroxyphenyl)-18,48-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14(47),15,17(46),20,23,26,29(45),30,32,34(39),35,37,41,43,49-icosaene-40-carboxylic acid
• 化学式: C₈₃H₉₁ClN₈O₃₄
• 分子量: 1780.1
• InChiKey: ZMZWKNFZAHPMIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  126
• 可旋转键数：
  16
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  687
• 氢给体数：
  25
• 氢受体数：
  42