22-(2-Amino-2-oxoethyl)-48-[2-[6-carbamoyl-4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]oxan-2-yl]oxy-5-methoxyoxan-2-yl]oxyethoxy]-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-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(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-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: 22-(2-Amino-2-oxoethyl)-48-[2-[6-carbamoyl-4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]oxan-2-yl]oxy-5-methoxyoxan-2-yl]oxyethoxy]-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-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(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
• 英文别名: 22-(2-amino-2-oxoethyl)-48-[2-[6-carbamoyl-4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[[3-(trifluoromethyl)benzoyl]amino]oxan-2-yl]oxy-5-methoxyoxan-2-yl]oxyethoxy]-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-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(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
• 化学式: C₈₄H₈₅Cl₃F₆N₁₂O₂₈
• 分子量: 1931.0
• InChiKey: LVJGWZHTVHMPAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  133
• 可旋转键数：
  22
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  616
• 氢给体数：
  21
• 氢受体数：
  35