2',3,4,21,29,35,50-Heptahydroxy-42-(hydroxymethyl)-57-methyl-21-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[48,49-dithia-10,13,38-triazatridecacyclo[26.22.2.220,29.11,27.15,8.133,37.138,41.010,14.017,25.020,30.025,30.041,46.05,57]octapentaconta-11,13,18,23,28(52),33(54),34,36-octaene-40,1'-cyclopentane]-51,53-dione

• 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',3,4,21,29,35,50-Heptahydroxy-42-(hydroxymethyl)-57-methyl-21-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[48,49-dithia-10,13,38-triazatridecacyclo[26.22.2.220,29.11,27.15,8.133,37.138,41.010,14.017,25.020,30.025,30.041,46.05,57]octapentaconta-11,13,18,23,28(52),33(54),34,36-octaene-40,1'-cyclopentane]-51,53-dione
• 英文别名: 2',3,4,21,29,35,50-heptahydroxy-42-(hydroxymethyl)-57-methyl-21-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[48,49-dithia-10,13,38-triazatridecacyclo[26.22.2.220,29.11,27.15,8.133,37.138,41.010,14.017,25.020,30.025,30.041,46.05,57]octapentaconta-11,13,18,23,28(52),33(54),34,36-octaene-40,1'-cyclopentane]-51,53-dione
• 化学式: C₆₆H₈₇N₃O₁₁S₂
• 分子量: 1162.5
• InChiKey: CXAXBJACFRXICI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  82
• 可旋转键数：
  4
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  280
• 氢给体数：
  8
• 氢受体数：
  14