2',18,22,28,43,50,51-Heptahydroxy-35-(hydroxymethyl)-49-methyl-3'-(methylaminomethyl)-18-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[41,42-dithia-6,9,31-triazadodecacyclo[42.5.3.11,4.114,48.126,30.131,34.06,10.014,23.019,23.022,47.034,39.044,49]hexapentaconta-7,9,15,26(55),27,29,46-heptaene-33,1'-cyclopentane]-45,54-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',18,22,28,43,50,51-Heptahydroxy-35-(hydroxymethyl)-49-methyl-3'-(methylaminomethyl)-18-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[41,42-dithia-6,9,31-triazadodecacyclo[42.5.3.11,4.114,48.126,30.131,34.06,10.014,23.019,23.022,47.034,39.044,49]hexapentaconta-7,9,15,26(55),27,29,46-heptaene-33,1'-cyclopentane]-45,54-dione
• 英文别名: 2',18,22,28,43,50,51-heptahydroxy-35-(hydroxymethyl)-49-methyl-3'-(methylaminomethyl)-18-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[41,42-dithia-6,9,31-triazadodecacyclo[42.5.3.11,4.114,48.126,30.131,34.06,10.014,23.019,23.022,47.034,39.044,49]hexapentaconta-7,9,15,26(55),27,29,46-heptaene-33,1'-cyclopentane]-45,54-dione
• 化学式: C₆₆H₉₂N₄O₁₁S₂
• 分子量: 1181.6
• InChiKey: BSDUOWCIUGADSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  83
• 可旋转键数：
  6
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  292
• 氢给体数：
  9
• 氢受体数：
  15