47-Benzyl-17,24,30,40,50-pentahydroxy-14-[2-[5-(3-hydroxyphenyl)-3-methylpentyl]phenyl]-18-methoxy-36-methyl-29-propyl-2,4,33,38-tetrazaoctacyclo[40.5.3.13,7.19,28.132,35.011,26.015,20.045,49]tripentaconta-1(47),3(53),6,15,17,19,32(51),34,42(50),43,45,48-dodecaen-12-yne-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: 47-Benzyl-17,24,30,40,50-pentahydroxy-14-[2-[5-(3-hydroxyphenyl)-3-methylpentyl]phenyl]-18-methoxy-36-methyl-29-propyl-2,4,33,38-tetrazaoctacyclo[40.5.3.13,7.19,28.132,35.011,26.015,20.045,49]tripentaconta-1(47),3(53),6,15,17,19,32(51),34,42(50),43,45,48-dodecaen-12-yne-23,25-dione
• 英文别名: 47-benzyl-17,24,30,40,50-pentahydroxy-14-[2-[5-(3-hydroxyphenyl)-3-methylpentyl]phenyl]-18-methoxy-36-methyl-29-propyl-2,4,33,38-tetrazaoctacyclo[40.5.3.13,7.19,28.132,35.011,26.015,20.045,49]tripentaconta-1(47),3(53),6,15,17,19,32(51),34,42(50),43,45,48-dodecaen-12-yne-23,25-dione
• 化学式: C₇₉H₉₂N₄O₉
• 分子量: 1241.6
• InChiKey: GVUZVPSRJCRCRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.1
• 重原子数：
  92
• 可旋转键数：
  12
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  217
• 氢给体数：
  10
• 氢受体数：
  12