5-[[4-[[(2R)-1-[[(1S,2R,18R,19R,22S,25R,28R,40S)-40-acetyl-48-[3-[[(5S)-5-amino-3,5-dimethyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-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-pentadecaen-19-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-(3-methyl-6-oxoxanthen-9-yl)benzoic 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: 5-[[4-[[(2R)-1-[[(1S,2R,18R,19R,22S,25R,28R,40S)-40-acetyl-48-[3-[[(5S)-5-amino-3,5-dimethyl-2-oxabicyclo[2.2.1]heptan-7-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-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-pentadecaen-19-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-(3-methyl-6-oxoxanthen-9-yl)benzoic acid
• 化学式: C₉₂H₉₀Cl₃N₁₃O₂₆
• 分子量: 1900.1
• InChiKey: JZECXPRCKZUGGV-VRUFDXDSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  134
• 可旋转键数：
  18
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  596
• 氢给体数：
  18
• 氢受体数：
  32