3',55-Dibenzyl-27,28,46,59,65-pentahydroxy-56-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[61-azaheptadecacyclo[29.27.2.29,12.236,39.13,7.132,51.04,47.05,44.011,35.013,21.015,19.019,24.021,34.022,31.025,30.038,43.052,60]hexahexaconta-3,5,7(66),9,11(35),13,25,27,29,36,38,40,42,62-tetradecaen-48,53-diyne-8,1'-cyclohexane]-58-one

• 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: 3',55-Dibenzyl-27,28,46,59,65-pentahydroxy-56-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[61-azaheptadecacyclo[29.27.2.29,12.236,39.13,7.132,51.04,47.05,44.011,35.013,21.015,19.019,24.021,34.022,31.025,30.038,43.052,60]hexahexaconta-3,5,7(66),9,11(35),13,25,27,29,36,38,40,42,62-tetradecaen-48,53-diyne-8,1'-cyclohexane]-58-one
• 英文别名: 3',55-dibenzyl-27,28,46,59,65-pentahydroxy-56-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[61-azaheptadecacyclo[29.27.2.29,12.236,39.13,7.132,51.04,47.05,44.011,35.013,21.015,19.019,24.021,34.022,31.025,30.038,43.052,60]hexahexaconta-3,5,7(66),9,11(35),13,25,27,29,36,38,40,42,62-tetradecaen-48,53-diyne-8,1'-cyclohexane]-58-one
• 化学式: C₉₂H₈₉NO₉
• 分子量: 1352.7
• InChiKey: DRUGMMDMIUUDBJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.8
• 重原子数：
  102
• 可旋转键数：
  7
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  180
• 氢给体数：
  8
• 氢受体数：
  10