47-Benzyl-17,24,30,40-tetrahydroxy-18-methoxy-36-methyl-14-phenyl-29-propylspiro[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-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: 47-Benzyl-17,24,30,40-tetrahydroxy-18-methoxy-36-methyl-14-phenyl-29-propylspiro[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-31,1'-cyclohexane]-23,25-dione
• 英文别名: 47-benzyl-17,24,30,40-tetrahydroxy-18-methoxy-36-methyl-14-phenyl-29-propylspiro[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-31,1'-cyclohexane]-23,25-dione
• 化学式: C₇₂H₈₄N₄O₇
• 分子量: 1117.5
• InChiKey: NFYOQUIWQGTDMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.6
• 重原子数：
  83
• 可旋转键数：
  6
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  176
• 氢给体数：
  8
• 氢受体数：
  10