[1-[6-(3-Amino-3-oxopropyl)-34-benzyl-25,31-di(ethylidene)-9-hydroxy-22-(1-hydroxyethyl)-28-(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-19-(2-phenylethyl)-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo[35.3.0.013,17]tetracontan-10-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-4-methylpentanoate

• 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: [1-[6-(3-Amino-3-oxopropyl)-34-benzyl-25,31-di(ethylidene)-9-hydroxy-22-(1-hydroxyethyl)-28-(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-19-(2-phenylethyl)-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo[35.3.0.013,17]tetracontan-10-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-4-methylpentanoate
• 英文别名: [1-[6-(3-amino-3-oxopropyl)-34-benzyl-25,31-di(ethylidene)-9-hydroxy-22-(1-hydroxyethyl)-28-(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-19-(2-phenylethyl)-1,4,7,11,17,20,23,26,29,32,35-undecazatricyclo[35.3.0.013,17]tetracontan-10-yl]-4,5-dihydroxy-7-methyloctan-2-yl] 2-[acetyl(methyl)amino]-4-methylpentanoate
• 化学式: C₇₂H₁₀₅N₁₃O₂₀
• 分子量: 1472.7
• InChiKey: KAWIJJOWYRPPRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  105
• 可旋转键数：
  23
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  493
• 氢给体数：
  15
• 氢受体数：
  20