3-[10-Butan-2-yl-16-ethylidene-32-hydroxy-19-(1-hydroxyethyl)-13-(hydroxymethyl)-2,8,11,14,17,20,23,29,33,36,39-undecaoxo-22-(2-phenylethyl)-31-(2,4,5-trihydroxy-7-methyloctyl)-3,9,12,15,18,21,24,30,34,37,43-undecazatetracyclo[38.2.1.03,7.024,28]tritetracontan-35-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-[10-Butan-2-yl-16-ethylidene-32-hydroxy-19-(1-hydroxyethyl)-13-(hydroxymethyl)-2,8,11,14,17,20,23,29,33,36,39-undecaoxo-22-(2-phenylethyl)-31-(2,4,5-trihydroxy-7-methyloctyl)-3,9,12,15,18,21,24,30,34,37,43-undecazatetracyclo[38.2.1.03,7.024,28]tritetracontan-35-yl]propanamide
• 英文别名: 3-[10-butan-2-yl-16-ethylidene-32-hydroxy-19-(1-hydroxyethyl)-13-(hydroxymethyl)-2,8,11,14,17,20,23,29,33,36,39-undecaoxo-22-(2-phenylethyl)-31-(2,4,5-trihydroxy-7-methyloctyl)-3,9,12,15,18,21,24,30,34,37,43-undecazatetracyclo[38.2.1.03,7.024,28]tritetracontan-35-yl]propanamide
• 化学式: C₆₁H₉₄N₁₂O₁₈
• 分子量: 1283.5
• InChiKey: DPMRYDXUSHRENU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 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：
  467
• 氢给体数：
  16
• 氢受体数：
  19