[26-Hydroxy-9-[3-hydroxy-4-(3-hydroxyphenoxy)-5-methoxyphenyl]-37-(3-hydroxyphenyl)-19-(3-hydroxypropyl)-7-oxo-31-(3-oxobutyl)-10,31,33,41-tetrazadodecacyclo[36.13.3.122,25.132,36.02,44.02,48.010,14.012,30.013,27.015,25.018,22.039,43]hexapentaconta-1(51),11,13,16,27,29,32(55),35,39,42,45,49-dodecaen-53-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: [26-Hydroxy-9-[3-hydroxy-4-(3-hydroxyphenoxy)-5-methoxyphenyl]-37-(3-hydroxyphenyl)-19-(3-hydroxypropyl)-7-oxo-31-(3-oxobutyl)-10,31,33,41-tetrazadodecacyclo[36.13.3.122,25.132,36.02,44.02,48.010,14.012,30.013,27.015,25.018,22.039,43]hexapentaconta-1(51),11,13,16,27,29,32(55),35,39,42,45,49-dodecaen-53-yn-5-yl] acetate
• 英文别名: [26-hydroxy-9-[3-hydroxy-4-(3-hydroxyphenoxy)-5-methoxyphenyl]-37-(3-hydroxyphenyl)-19-(3-hydroxypropyl)-7-oxo-31-(3-oxobutyl)-10,31,33,41-tetrazadodecacyclo[36.13.3.122,25.132,36.02,44.02,48.010,14.012,30.013,27.015,25.018,22.039,43]hexapentaconta-1(51),11,13,16,27,29,32(55),35,39,42,45,49-dodecaen-53-yn-5-yl] acetate
• 化学式: C₈₀H₈₄N₄O₁₁
• 分子量: 1277.5
• InChiKey: LTIIYJZFYILHPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  95
• 可旋转键数：
  13
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  216
• 氢给体数：
  7
• 氢受体数：
  13