3-[37-Butan-2-yl-31-ethylidene-15-hydroxy-28-(1-hydroxyethyl)-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide

• 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: 3-[37-Butan-2-yl-31-ethylidene-15-hydroxy-28-(1-hydroxyethyl)-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
• 英文别名: 3-[37-butan-2-yl-31-ethylidene-15-hydroxy-28-(1-hydroxyethyl)-34-(hydroxymethyl)-2,8,11,14,18,24,27,30,33,36,39-undecaoxo-25-(2-phenylethyl)-16-(2,4,5-trihydroxy-7-methyloctyl)-1,7,10,13,17,23,26,29,32,35,38-undecazatetracyclo[38.3.0.03,7.019,23]tritetracontan-12-yl]propanamide
• 化学式: C₆₁H₉₄N₁₂O₁₈
• 分子量: 1283.5
• InChiKey: OCPKVHKLLYWOOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  91
• 可旋转键数：
  17
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  458
• 氢给体数：
  15
• 氢受体数：
  18