7'-[3,4-Dihydroxy-5-(2-hydroxyethyl)phenyl]-9,9,10,11,11',25',28',29'-octahydroxy-13'-(5-methyl-1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-3-yl)-3,9'-dioxospiro[2,12-dioxabicyclo[6.3.1]dodec-6-yne-4,26'-2,6,27-trioxa-18-azahexacyclo[23.2.2.01,15.03,12.05,10.017,21]nonacosa-3(12),4,7,10,14,17(21),19-heptaen-22-yne]-8-carboxylic acid

• 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: 7'-[3,4-Dihydroxy-5-(2-hydroxyethyl)phenyl]-9,9,10,11,11',25',28',29'-octahydroxy-13'-(5-methyl-1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-3-yl)-3,9'-dioxospiro[2,12-dioxabicyclo[6.3.1]dodec-6-yne-4,26'-2,6,27-trioxa-18-azahexacyclo[23.2.2.01,15.03,12.05,10.017,21]nonacosa-3(12),4,7,10,14,17(21),19-heptaen-22-yne]-8-carboxylic acid
• 英文别名: 7'-[3,4-dihydroxy-5-(2-hydroxyethyl)phenyl]-9,9,10,11,11',25',28',29'-octahydroxy-13'-(5-methyl-1,5,6,7,8,8a-hexahydro-1,8-naphthyridin-3-yl)-3,9'-dioxospiro[2,12-dioxabicyclo[6.3.1]dodec-6-yne-4,26'-2,6,27-trioxa-18-azahexacyclo[23.2.2.01,15.03,12.05,10.017,21]nonacosa-3(12),4,7,10,14,17(21),19-heptaen-22-yne]-8-carboxylic acid
• 化学式: C₅₂H₄₉N₃O₂₀
• 分子量: 1036.0
• InChiKey: LQOYSCLRVGPWTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  75
• 可旋转键数：
  5
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  380
• 氢给体数：
  15
• 氢受体数：
  22