2-[17-[2-(3,3-Dimethyloxiran-2-yl)-2-hydroxyethyl]-2,3'-dihydroxy-4,8,12,13,17-pentamethyl-8-[2-(methylamino)ethyl]-7,15-dioxospiro[22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-5,1'-cyclopentane]-24-yl]-2-[1-(4-hydroxyoxan-4-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-yl]acetaldehyde

• 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: 2-[17-[2-(3,3-Dimethyloxiran-2-yl)-2-hydroxyethyl]-2,3'-dihydroxy-4,8,12,13,17-pentamethyl-8-[2-(methylamino)ethyl]-7,15-dioxospiro[22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-5,1'-cyclopentane]-24-yl]-2-[1-(4-hydroxyoxan-4-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-yl]acetaldehyde
• 英文别名: 2-[17-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-2,3'-dihydroxy-4,8,12,13,17-pentamethyl-8-[2-(methylamino)ethyl]-7,15-dioxospiro[22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-5,1'-cyclopentane]-24-yl]-2-[1-(4-hydroxyoxan-4-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-3-yl]acetaldehyde
• 化学式: C₆₆H₉₁N₃O₉
• 分子量: 1070.4
• InChiKey: QHRXXGCYZRPQEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  78
• 可旋转键数：
  10
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  187
• 氢给体数：
  6
• 氢受体数：
  10