10,11,16,62-Tetrahydroxy-29-(hydroxymethyl)-26-(methylamino)-22-oxo-23,65-dioxaicosacyclo[72.2.1.16,63.115,36.118,25.136,39.141,45.147,51.152,56.158,66.168,72.02,7.09,62.011,16.012,61.015,19.020,24.028,33.055,59.059,64]hexaoctaconta-4,20,28(33),29,31,41,43,45(83),47(82),48,50,68,70,72(78)-tetradecaen-34-yne-61-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: 10,11,16,62-Tetrahydroxy-29-(hydroxymethyl)-26-(methylamino)-22-oxo-23,65-dioxaicosacyclo[72.2.1.16,63.115,36.118,25.136,39.141,45.147,51.152,56.158,66.168,72.02,7.09,62.011,16.012,61.015,19.020,24.028,33.055,59.059,64]hexaoctaconta-4,20,28(33),29,31,41,43,45(83),47(82),48,50,68,70,72(78)-tetradecaen-34-yne-61-carbaldehyde
• 英文别名: 10,11,16,62-tetrahydroxy-29-(hydroxymethyl)-26-(methylamino)-22-oxo-23,65-dioxaicosacyclo[72.2.1.16,63.115,36.118,25.136,39.141,45.147,51.152,56.158,66.168,72.02,7.09,62.011,16.012,61.015,19.020,24.028,33.055,59.059,64]hexaoctaconta-4,20,28(33),29,31,41,43,45(83),47(82),48,50,68,70,72(78)-tetradecaen-34-yne-61-carbaldehyde
• 化学式: C₈₇H₁₀₁NO₉
• 分子量: 1304.7
• InChiKey: BPMQFDVLNWWBEG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14
• 重原子数：
  97
• 可旋转键数：
  3
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10