[9-[4-(3-Benzyl-5-hydroxyphenoxy)-3-hydroxy-5-methoxyphenyl]-17-hydroxy-28-(3-hydroxyphenyl)-7-oxo-22-(3-oxobutyl)-10,22,24,32-tetrazanonacyclo[27.13.3.123,27.02,35.02,39.010,14.012,21.013,18.030,34]hexatetraconta-1(42),11,13,18,20,23(46),26,30,33,36,40-undecaen-44-yn-5-yl] acetate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [9-[4-(3-Benzyl-5-hydroxyphenoxy)-3-hydroxy-5-methoxyphenyl]-17-hydroxy-28-(3-hydroxyphenyl)-7-oxo-22-(3-oxobutyl)-10,22,24,32-tetrazanonacyclo[27.13.3.123,27.02,35.02,39.010,14.012,21.013,18.030,34]hexatetraconta-1(42),11,13,18,20,23(46),26,30,33,36,40-undecaen-44-yn-5-yl] acetate
• 英文别名: [9-[4-(3-benzyl-5-hydroxyphenoxy)-3-hydroxy-5-methoxyphenyl]-17-hydroxy-28-(3-hydroxyphenyl)-7-oxo-22-(3-oxobutyl)-10,22,24,32-tetrazanonacyclo[27.13.3.123,27.02,35.02,39.010,14.012,21.013,18.030,34]hexatetraconta-1(42),11,13,18,20,23(46),26,30,33,36,40-undecaen-44-yn-5-yl] acetate
• 化学式: C₇₄H₇₂N₄O₁₀
• 分子量: 1177.4
• InChiKey: LGNNWJVFVVAUPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  88
• 可旋转键数：
  12
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  196
• 氢给体数：
  6
• 氢受体数：
  12