34-Cyclopentyl-27,38,39,44,66-pentahydroxy-57-(hydroxymethyl)-54-(methylamino)-50-oxo-51-oxahexadecacyclo[41.20.1.11,4.13,8.114,18.121,24.124,28.146,53.07,12.026,40.027,37.030,35.039,44.043,47.048,52.056,61]heptaconta-7(12),8,10,14,16,18(68),31,48,56(61),57,59-undecaen-62-yne-26-carbaldehyde

• 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: 34-Cyclopentyl-27,38,39,44,66-pentahydroxy-57-(hydroxymethyl)-54-(methylamino)-50-oxo-51-oxahexadecacyclo[41.20.1.11,4.13,8.114,18.121,24.124,28.146,53.07,12.026,40.027,37.030,35.039,44.043,47.048,52.056,61]heptaconta-7(12),8,10,14,16,18(68),31,48,56(61),57,59-undecaen-62-yne-26-carbaldehyde
• 英文别名: 34-cyclopentyl-27,38,39,44,66-pentahydroxy-57-(hydroxymethyl)-54-(methylamino)-50-oxo-51-oxahexadecacyclo[41.20.1.11,4.13,8.114,18.121,24.124,28.146,53.07,12.026,40.027,37.030,35.039,44.043,47.048,52.056,61]heptaconta-7(12),8,10,14,16,18(68),31,48,56(61),57,59-undecaen-62-yne-26-carbaldehyde
• 化学式: C₇₇H₉₃NO₉
• 分子量: 1176.6
• InChiKey: MTSARVYXLUMZLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  87
• 可旋转键数：
  4
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10