57-[4-Hydroxy-1-(hydroxymethoxy)butan-2-yl]-56-(hydroxymethyl)-66-(1-hydroxypropan-2-ylidene)-51,59,64,78-tetraoxaicosacyclo[48.23.3.35,62.312,26.24,7.228,31.135,69.04,72.08,13.033,68.037,49.038,47.041,46.050,63.052,61.055,60.016,85.020,85.023,84.073,77]heptaoctaconta-8(13),9,11,21,23(84),24,26(83),28,30,39,41,43,45,52(61),53,55(60),56,69(77),70,72,81,86-docosaen-74-yne-58,65,79-trione

• 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: 57-[4-Hydroxy-1-(hydroxymethoxy)butan-2-yl]-56-(hydroxymethyl)-66-(1-hydroxypropan-2-ylidene)-51,59,64,78-tetraoxaicosacyclo[48.23.3.35,62.312,26.24,7.228,31.135,69.04,72.08,13.033,68.037,49.038,47.041,46.050,63.052,61.055,60.016,85.020,85.023,84.073,77]heptaoctaconta-8(13),9,11,21,23(84),24,26(83),28,30,39,41,43,45,52(61),53,55(60),56,69(77),70,72,81,86-docosaen-74-yne-58,65,79-trione
• 英文别名: 57-[4-hydroxy-1-(hydroxymethoxy)butan-2-yl]-56-(hydroxymethyl)-66-(1-hydroxypropan-2-ylidene)-51,59,64,78-tetraoxaicosacyclo[48.23.3.35,62.312,26.24,7.228,31.135,69.04,72.08,13.033,68.037,49.038,47.041,46.050,63.052,61.055,60.016,85.020,85.023,84.073,77]heptaoctaconta-8(13),9,11,21,23(84),24,26(83),28,30,39,41,43,45,52(61),53,55(60),56,69(77),70,72,81,86-docosaen-74-yne-58,65,79-trione
• 化学式: C₉₂H₉₀O₁₂
• 分子量: 1387.7
• InChiKey: JYJCDNXVALGGPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.8
• 重原子数：
  104
• 可旋转键数：
  8
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  178
• 氢给体数：
  4
• 氢受体数：
  12