13-Cyclopentyl-3,8,9,20,72-pentahydroxy-55-(hydroxymethyl)-58-(methylamino)-62-oxo-61-oxaheptadecacyclo[57.6.1.14,48.119,23.126,30.131,35.141,46.145,48.03,8.04,65.07,21.010,20.012,17.023,27.037,42.051,56.060,64]doheptaconta-15,31,33,35(70),37(42),38,40,51(56),52,54,63-undecaen-49-yne-21-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: 13-Cyclopentyl-3,8,9,20,72-pentahydroxy-55-(hydroxymethyl)-58-(methylamino)-62-oxo-61-oxaheptadecacyclo[57.6.1.14,48.119,23.126,30.131,35.141,46.145,48.03,8.04,65.07,21.010,20.012,17.023,27.037,42.051,56.060,64]doheptaconta-15,31,33,35(70),37(42),38,40,51(56),52,54,63-undecaen-49-yne-21-carbaldehyde
• 英文别名: 13-cyclopentyl-3,8,9,20,72-pentahydroxy-55-(hydroxymethyl)-58-(methylamino)-62-oxo-61-oxaheptadecacyclo[57.6.1.14,48.119,23.126,30.131,35.141,46.145,48.03,8.04,65.07,21.010,20.012,17.023,27.037,42.051,56.060,64]doheptaconta-15,31,33,35(70),37(42),38,40,51(56),52,54,63-undecaen-49-yne-21-carbaldehyde
• 化学式: C₇₉H₉₅NO₉
• 分子量: 1202.6
• InChiKey: OHBDSKNBVJKJFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  89
• 可旋转键数：
  4
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10