34-Benzyl-8,25,26,47,56-pentahydroxy-35-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[53-azahexadecacyclo[28.23.3.239,48.17,42.140,48.01,29.03,19.05,10.011,19.013,17.017,22.020,29.023,28.031,52.038,56.044,57]hexaconta-4,6,11,23,25,27,40(57),41,43,58-decaen-32,49-diyne-45,1'-cyclopentane]-37-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: 34-Benzyl-8,25,26,47,56-pentahydroxy-35-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[53-azahexadecacyclo[28.23.3.239,48.17,42.140,48.01,29.03,19.05,10.011,19.013,17.017,22.020,29.023,28.031,52.038,56.044,57]hexaconta-4,6,11,23,25,27,40(57),41,43,58-decaen-32,49-diyne-45,1'-cyclopentane]-37-one
• 英文别名: 34-benzyl-8,25,26,47,56-pentahydroxy-35-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[53-azahexadecacyclo[28.23.3.239,48.17,42.140,48.01,29.03,19.05,10.011,19.013,17.017,22.020,29.023,28.031,52.038,56.044,57]hexaconta-4,6,11,23,25,27,40(57),41,43,58-decaen-32,49-diyne-45,1'-cyclopentane]-37-one
• 化学式: C₇₈H₇₉NO₉
• 分子量: 1174.5
• InChiKey: NJYQLJGVBAPSTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  88
• 可旋转键数：
  5
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  180
• 氢给体数：
  8
• 氢受体数：
  10