52-(1-Cyclopentylethyl)-4,48,55,56,61-pentahydroxy-17-(hydroxymethyl)-14-(methylamino)-10-oxo-11-oxapentadecacyclo[39.16.3.13,24.16,13.124,27.129,33.135,39.142,45.145,49.03,7.04,56.08,12.016,21.047,57.048,54]heptahexaconta-8,16(21),17,19,29,31,33(64),35(63),36,38-decaen-22,58-diyne-47-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: 52-(1-Cyclopentylethyl)-4,48,55,56,61-pentahydroxy-17-(hydroxymethyl)-14-(methylamino)-10-oxo-11-oxapentadecacyclo[39.16.3.13,24.16,13.124,27.129,33.135,39.142,45.145,49.03,7.04,56.08,12.016,21.047,57.048,54]heptahexaconta-8,16(21),17,19,29,31,33(64),35(63),36,38-decaen-22,58-diyne-47-carbaldehyde
• 英文别名: 52-(1-cyclopentylethyl)-4,48,55,56,61-pentahydroxy-17-(hydroxymethyl)-14-(methylamino)-10-oxo-11-oxapentadecacyclo[39.16.3.13,24.16,13.124,27.129,33.135,39.142,45.145,49.03,7.04,56.08,12.016,21.047,57.048,54]heptahexaconta-8,16(21),17,19,29,31,33(64),35(63),36,38-decaen-22,58-diyne-47-carbaldehyde
• 化学式: C₇₆H₉₁NO₉
• 分子量: 1162.5
• InChiKey: WPVJFALAMWCUJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  86
• 可旋转键数：
  5
• 环数：
  17.0
• 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