[37,42,67-Trihydroxy-47-(hydroxymethyl)-11-(3-hydroxyphenyl)-73-methoxy-32-oxo-5-(3-oxobutyl)-39-oxa-5,7,15,63-tetrazaheptadecacyclo[55.9.4.312,26.235,38.16,10.140,44.157,68.04,65.013,17.018,27.022,27.034,63.046,51.049,55.049,58.061,68.062,66]octaheptaconta-1,3,6(78),9,13,16,19,23,25,35,37,40(72),41,43,59,62(66),64,73-octadecaen-76-yn-30-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: [37,42,67-Trihydroxy-47-(hydroxymethyl)-11-(3-hydroxyphenyl)-73-methoxy-32-oxo-5-(3-oxobutyl)-39-oxa-5,7,15,63-tetrazaheptadecacyclo[55.9.4.312,26.235,38.16,10.140,44.157,68.04,65.013,17.018,27.022,27.034,63.046,51.049,55.049,58.061,68.062,66]octaheptaconta-1,3,6(78),9,13,16,19,23,25,35,37,40(72),41,43,59,62(66),64,73-octadecaen-76-yn-30-yl] acetate
• 英文别名: [37,42,67-trihydroxy-47-(hydroxymethyl)-11-(3-hydroxyphenyl)-73-methoxy-32-oxo-5-(3-oxobutyl)-39-oxa-5,7,15,63-tetrazaheptadecacyclo[55.9.4.312,26.235,38.16,10.140,44.157,68.04,65.013,17.018,27.022,27.034,63.046,51.049,55.049,58.061,68.062,66]octaheptaconta-1,3,6(78),9,13,16,19,23,25,35,37,40(72),41,43,59,62(66),64,73-octadecaen-76-yn-30-yl] acetate
• 化学式: C₈₇H₉₂N₄O₁₁
• 分子量: 1369.7
• InChiKey: KFKQBDAPDVXJAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.9
• 重原子数：
  102
• 可旋转键数：
  8
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  216
• 氢给体数：
  7
• 氢受体数：
  13