41-(2-Cyclopentylethyl)-26,33,42,52,62-pentahydroxy-13-[[3-hydroxy-2-(hydroxymethyl)phenyl]methyl]-14-(hydroxymethyl)-27-methoxy-48-methyl-2,4,45,50-tetrazaundecacyclo[52.5.3.223,36.13,7.112,16.135,40.144,47.08,38.017,22.024,29.057,61]octahexaconta-1(60),3(68),6,17,19,21,24,26,28,44(63),46,54(62),55,57(61),58-pentadecaen-10,65-diyne-32,34-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: 41-(2-Cyclopentylethyl)-26,33,42,52,62-pentahydroxy-13-[[3-hydroxy-2-(hydroxymethyl)phenyl]methyl]-14-(hydroxymethyl)-27-methoxy-48-methyl-2,4,45,50-tetrazaundecacyclo[52.5.3.223,36.13,7.112,16.135,40.144,47.08,38.017,22.024,29.057,61]octahexaconta-1(60),3(68),6,17,19,21,24,26,28,44(63),46,54(62),55,57(61),58-pentadecaen-10,65-diyne-32,34-dione
• 英文别名: 41-(2-cyclopentylethyl)-26,33,42,52,62-pentahydroxy-13-[[3-hydroxy-2-(hydroxymethyl)phenyl]methyl]-14-(hydroxymethyl)-27-methoxy-48-methyl-2,4,45,50-tetrazaundecacyclo[52.5.3.223,36.13,7.112,16.135,40.144,47.08,38.017,22.024,29.057,61]octahexaconta-1(60),3(68),6,17,19,21,24,26,28,44(63),46,54(62),55,57(61),58-pentadecaen-10,65-diyne-32,34-dione
• 化学式: C₈₂H₉₆N₄O₁₁
• 分子量: 1313.7
• InChiKey: VEYMBASJZHZGAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.2
• 重原子数：
  97
• 可旋转键数：
  8
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  257
• 氢给体数：
  12
• 氢受体数：
  14