17,24,30,40,50-Pentahydroxy-14-[2-[4-[[3-hydroxy-2-(hydroxymethyl)phenyl]methyl]-3-methylcyclohexyl]phenyl]-18-methoxy-36-methyl-29-propylspiro[2,4,33,38-tetrazaoctacyclo[40.5.3.13,7.19,28.132,35.011,26.015,20.045,49]tripentaconta-1(48),3(53),6,15,17,19,32(51),34,42(50),43,45(49),46-dodecaen-12-yne-31,1'-cyclohexane]-23,25-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: 17,24,30,40,50-Pentahydroxy-14-[2-[4-[[3-hydroxy-2-(hydroxymethyl)phenyl]methyl]-3-methylcyclohexyl]phenyl]-18-methoxy-36-methyl-29-propylspiro[2,4,33,38-tetrazaoctacyclo[40.5.3.13,7.19,28.132,35.011,26.015,20.045,49]tripentaconta-1(48),3(53),6,15,17,19,32(51),34,42(50),43,45(49),46-dodecaen-12-yne-31,1'-cyclohexane]-23,25-dione
• 英文别名: 17,24,30,40,50-pentahydroxy-14-[2-[4-[[3-hydroxy-2-(hydroxymethyl)phenyl]methyl]-3-methylcyclohexyl]phenyl]-18-methoxy-36-methyl-29-propylspiro[2,4,33,38-tetrazaoctacyclo[40.5.3.13,7.19,28.132,35.011,26.015,20.045,49]tripentaconta-1(48),3(53),6,15,17,19,32(51),34,42(50),43,45(49),46-dodecaen-12-yne-31,1'-cyclohexane]-23,25-dione
• 化学式: C₈₀H₉₈N₄O₁₀
• 分子量: 1275.7
• InChiKey: XRCIHLUQACWYGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.1
• 重原子数：
  94
• 可旋转键数：
  8
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  237
• 氢给体数：
  11
• 氢受体数：
  13