17,24,30,40,50-Pentahydroxy-14-[2-[4-[(3-hydroxyphenyl)methyl]-5-methylcyclohex-2-en-1-yl]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-hydroxyphenyl)methyl]-5-methylcyclohex-2-en-1-yl]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-hydroxyphenyl)methyl]-5-methylcyclohex-2-en-1-yl]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: C₇₉H₉₄N₄O₉
• 分子量: 1243.6
• InChiKey: LIZYGPAJJXUMKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15
• 重原子数：
  92
• 可旋转键数：
  7
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  217
• 氢给体数：
  10
• 氢受体数：
  12