25-Benzyl-16,17,30,40,57-pentahydroxy-26-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[34-azaoctadecacyclo[31.25.4.339,52.156,59.02,10.04,8.08,13.010,61.011,20.014,19.020,33.021,30.022,35.039,51.042,46.042,50.049,54.029,64]hexahexaconta-2,14,16,18,47,49,51,53,56(63),59,65-undecaen-23,37-diyne-43,1'-cyclopentane]-28-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: 25-Benzyl-16,17,30,40,57-pentahydroxy-26-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[34-azaoctadecacyclo[31.25.4.339,52.156,59.02,10.04,8.08,13.010,61.011,20.014,19.020,33.021,30.022,35.039,51.042,46.042,50.049,54.029,64]hexahexaconta-2,14,16,18,47,49,51,53,56(63),59,65-undecaen-23,37-diyne-43,1'-cyclopentane]-28-one
• 英文别名: 25-benzyl-16,17,30,40,57-pentahydroxy-26-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[34-azaoctadecacyclo[31.25.4.339,52.156,59.02,10.04,8.08,13.010,61.011,20.014,19.020,33.021,30.022,35.039,51.042,46.042,50.049,54.029,64]hexahexaconta-2,14,16,18,47,49,51,53,56(63),59,65-undecaen-23,37-diyne-43,1'-cyclopentane]-28-one
• 化学式: C₈₄H₈₅NO₉
• 分子量: 1252.6
• InChiKey: IQQVLIHGBWFRCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  94
• 可旋转键数：
  5
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  180
• 氢给体数：
  8
• 氢受体数：
  10