55-Benzyl-27,28,46,59,64-pentahydroxy-56-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[36,61-diazaheptadecacyclo[29.27.2.29,12.13,7.132,51.136,39.04,47.05,44.011,35.013,21.015,19.019,24.021,34.022,31.025,30.038,43.052,60]pentahexaconta-3,5,7(65),9,11(35),13,25,27,29,37,39(62),40,42-tridecaen-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: 55-Benzyl-27,28,46,59,64-pentahydroxy-56-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[36,61-diazaheptadecacyclo[29.27.2.29,12.13,7.132,51.136,39.04,47.05,44.011,35.013,21.015,19.019,24.021,34.022,31.025,30.038,43.052,60]pentahexaconta-3,5,7(65),9,11(35),13,25,27,29,37,39(62),40,42-tridecaen-48,53-diyne-8,1'-cyclohexane]-58-one
• 英文别名: 55-benzyl-27,28,46,59,64-pentahydroxy-56-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[36,61-diazaheptadecacyclo[29.27.2.29,12.13,7.132,51.136,39.04,47.05,44.011,35.013,21.015,19.019,24.021,34.022,31.025,30.038,43.052,60]pentahexaconta-3,5,7(65),9,11(35),13,25,27,29,37,39(62),40,42-tridecaen-48,53-diyne-8,1'-cyclohexane]-58-one
• 化学式: C₈₃H₈₂N₂O₉
• 分子量: 1251.5
• InChiKey: ZBOGOICAEMRLTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.1
• 重原子数：
  94
• 可旋转键数：
  5
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  185
• 氢给体数：
  8
• 氢受体数：
  10