[34-Benzyl-2',9,38-trihydroxy-11-(hydroxymethoxy)-43-(hydroxymethyl)-44-(methoxymethyl)-57-methylspiro[18,36-dioxa-32,33-dithia-25,41,52,54-tetrazapentadecacyclo[43.15.7.12,5.15,13.116,19.120,39.126,30.162,66.07,12.021,37.024,35.051,60.053,58.017,72.048,69]triheptaconta-7(12),8,10,13(72),14,16,20,22,37,39(69),51(60),58,62,64,66(68)-pentadecaen-46,49-diyne-61,1'-cyclohexane]-71-yl]methyl acetate

• 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-2',9,38-trihydroxy-11-(hydroxymethoxy)-43-(hydroxymethyl)-44-(methoxymethyl)-57-methylspiro[18,36-dioxa-32,33-dithia-25,41,52,54-tetrazapentadecacyclo[43.15.7.12,5.15,13.116,19.120,39.126,30.162,66.07,12.021,37.024,35.051,60.053,58.017,72.048,69]triheptaconta-7(12),8,10,13(72),14,16,20,22,37,39(69),51(60),58,62,64,66(68)-pentadecaen-46,49-diyne-61,1'-cyclohexane]-71-yl]methyl acetate
• 英文别名: [34-benzyl-2',9,38-trihydroxy-11-(hydroxymethoxy)-43-(hydroxymethyl)-44-(methoxymethyl)-57-methylspiro[18,36-dioxa-32,33-dithia-25,41,52,54-tetrazapentadecacyclo[43.15.7.12,5.15,13.116,19.120,39.126,30.162,66.07,12.021,37.024,35.051,60.053,58.017,72.048,69]triheptaconta-7(12),8,10,13(72),14,16,20,22,37,39(69),51(60),58,62,64,66(68)-pentadecaen-46,49-diyne-61,1'-cyclohexane]-71-yl]methyl acetate
• 化学式: C₈₅H₉₆N₄O₁₁S₂
• 分子量: 1413.8
• InChiKey: VEWVZVKIENKGSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.8
• 重原子数：
  102
• 可旋转键数：
  10
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  263
• 氢给体数：
  9
• 氢受体数：
  17