33-(1-Cyclopentylethyl)-29,36,37,42,64-pentahydroxy-55-(hydroxymethyl)-52-(methylamino)-48-oxo-49-oxahexadecacyclo[39.20.1.11,4.13,8.114,18.119,23.126,30.144,51.07,12.022,26.028,38.029,35.037,42.041,45.046,50.054,59]octahexaconta-7(12),8,10,14(66),15,17,46,54(59),55,57-decaen-60-yne-28-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: 33-(1-Cyclopentylethyl)-29,36,37,42,64-pentahydroxy-55-(hydroxymethyl)-52-(methylamino)-48-oxo-49-oxahexadecacyclo[39.20.1.11,4.13,8.114,18.119,23.126,30.144,51.07,12.022,26.028,38.029,35.037,42.041,45.046,50.054,59]octahexaconta-7(12),8,10,14(66),15,17,46,54(59),55,57-decaen-60-yne-28-carbaldehyde
• 英文别名: 33-(1-cyclopentylethyl)-29,36,37,42,64-pentahydroxy-55-(hydroxymethyl)-52-(methylamino)-48-oxo-49-oxahexadecacyclo[39.20.1.11,4.13,8.114,18.119,23.126,30.144,51.07,12.022,26.028,38.029,35.037,42.041,45.046,50.054,59]octahexaconta-7(12),8,10,14(66),15,17,46,54(59),55,57-decaen-60-yne-28-carbaldehyde
• 化学式: C₇₇H₉₅NO₉
• 分子量: 1178.6
• InChiKey: GHYWJDYFSDZOLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12
• 重原子数：
  87
• 可旋转键数：
  5
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10