18-Benzyl-26,27,44,60,62-pentahydroxy-17-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[55,56-dithia-5-azahexadecacyclo[43.12.2.110,53.114,22.147,51.02,33.04,23.06,21.010,50.013,49.023,32.024,29.030,35.033,41.035,39.042,58]dohexaconta-1(58),11,24,26,28,40,45(59),47(61),48,50-decaen-8,19-diyne-46,1'-cyclohexane]-15-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: 18-Benzyl-26,27,44,60,62-pentahydroxy-17-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[55,56-dithia-5-azahexadecacyclo[43.12.2.110,53.114,22.147,51.02,33.04,23.06,21.010,50.013,49.023,32.024,29.030,35.033,41.035,39.042,58]dohexaconta-1(58),11,24,26,28,40,45(59),47(61),48,50-decaen-8,19-diyne-46,1'-cyclohexane]-15-one
• 英文别名: 18-benzyl-26,27,44,60,62-pentahydroxy-17-[4-hydroxy-2-(hydroxymethyl)-5-methoxyphenyl]spiro[55,56-dithia-5-azahexadecacyclo[43.12.2.110,53.114,22.147,51.02,33.04,23.06,21.010,50.013,49.023,32.024,29.030,35.033,41.035,39.042,58]dohexaconta-1(58),11,24,26,28,40,45(59),47(61),48,50-decaen-8,19-diyne-46,1'-cyclohexane]-15-one
• 化学式: C₇₉H₈₁NO₉S₂
• 分子量: 1252.6
• InChiKey: VRUYXJOMIFUKMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  91
• 可旋转键数：
  5
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  231
• 氢给体数：
  8
• 氢受体数：
  12