[48-(3-Cyclohexyl-3-oxopropyl)-11,16,65-trihydroxy-6-(hydroxymethyl)-42-(3-hydroxyphenyl)-72-methoxy-21-oxo-14-oxa-38,46,48,56-tetrazahexadecacyclo[50.9.4.327,41.24,7.215,18.11,64.19,13.143,47.04,61.019,56.026,31.026,35.036,40.049,54.053,57.058,64]pentaheptaconta-9,11,13(73),15,17,27,29,33,36,39,43,47(67),49,51,53(57),54,59,71-octadecaen-68-yn-23-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: [48-(3-Cyclohexyl-3-oxopropyl)-11,16,65-trihydroxy-6-(hydroxymethyl)-42-(3-hydroxyphenyl)-72-methoxy-21-oxo-14-oxa-38,46,48,56-tetrazahexadecacyclo[50.9.4.327,41.24,7.215,18.11,64.19,13.143,47.04,61.019,56.026,31.026,35.036,40.049,54.053,57.058,64]pentaheptaconta-9,11,13(73),15,17,27,29,33,36,39,43,47(67),49,51,53(57),54,59,71-octadecaen-68-yn-23-yl] acetate
• 英文别名: [48-(3-cyclohexyl-3-oxopropyl)-11,16,65-trihydroxy-6-(hydroxymethyl)-42-(3-hydroxyphenyl)-72-methoxy-21-oxo-14-oxa-38,46,48,56-tetrazahexadecacyclo[50.9.4.327,41.24,7.215,18.11,64.19,13.143,47.04,61.019,56.026,31.026,35.036,40.049,54.053,57.058,64]pentaheptaconta-9,11,13(73),15,17,27,29,33,36,39,43,47(67),49,51,53(57),54,59,71-octadecaen-68-yn-23-yl] acetate
• 化学式: C₈₉H₉₆N₄O₁₁
• 分子量: 1397.7
• InChiKey: SFMKFHFQXLXOIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.1
• 重原子数：
  104
• 可旋转键数：
  9
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  216
• 氢给体数：
  7
• 氢受体数：
  13