58,63,64,66-Tetrahydroxy-45-(hydroxymethyl)-2-methyl-48-(methylamino)-52-oxo-51,75-dioxanonadecacyclo[63.8.1.13,6.18,12.114,70.118,22.123,27.129,33.135,38.138,59.149,56.016,69.019,69.041,46.050,54.055,59.058,63.062,67.066,71]trioctaconta-8(82),9,11,23,25,27(80),29(79),30,32,41(46),42,44,53-tridecaen-39-yne-67-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: 58,63,64,66-Tetrahydroxy-45-(hydroxymethyl)-2-methyl-48-(methylamino)-52-oxo-51,75-dioxanonadecacyclo[63.8.1.13,6.18,12.114,70.118,22.123,27.129,33.135,38.138,59.149,56.016,69.019,69.041,46.050,54.055,59.058,63.062,67.066,71]trioctaconta-8(82),9,11,23,25,27(80),29(79),30,32,41(46),42,44,53-tridecaen-39-yne-67-carbaldehyde
• 英文别名: 58,63,64,66-tetrahydroxy-45-(hydroxymethyl)-2-methyl-48-(methylamino)-52-oxo-51,75-dioxanonadecacyclo[63.8.1.13,6.18,12.114,70.118,22.123,27.129,33.135,38.138,59.149,56.016,69.019,69.041,46.050,54.055,59.058,63.062,67.066,71]trioctaconta-8(82),9,11,23,25,27(80),29(79),30,32,41(46),42,44,53-tridecaen-39-yne-67-carbaldehyde
• 化学式: C₈₅H₁₀₁NO₉
• 分子量: 1280.7
• InChiKey: XSIKHAYVHMZKDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.1
• 重原子数：
  95
• 可旋转键数：
  3
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10