8a-(Diaminomethylideneamino)-15'-(3,4-dihydronaphthalen-2-yl)-4a,4b,16',19'-tetrahydroxy-5,9',13',22'-tetramethyl-10',24'-dioxospiro[2,3,4,5,9,10-hexahydrophenanthrene-6,21'-hexacyclo[11.11.0.02,16.03,19.03,22.09,14]tetracosa-1,17-dien-6-yne]-1-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: 8a-(Diaminomethylideneamino)-15'-(3,4-dihydronaphthalen-2-yl)-4a,4b,16',19'-tetrahydroxy-5,9',13',22'-tetramethyl-10',24'-dioxospiro[2,3,4,5,9,10-hexahydrophenanthrene-6,21'-hexacyclo[11.11.0.02,16.03,19.03,22.09,14]tetracosa-1,17-dien-6-yne]-1-carboxylic acid
• 英文别名: 8a-(diaminomethylideneamino)-15'-(3,4-dihydronaphthalen-2-yl)-4a,4b,16',19'-tetrahydroxy-5,9',13',22'-tetramethyl-10',24'-dioxospiro[2,3,4,5,9,10-hexahydrophenanthrene-6,21'-hexacyclo[11.11.0.02,16.03,19.03,22.09,14]tetracosa-1,17-dien-6-yne]-1-carboxylic acid
• 化学式: C₅₃H₆₁N₃O₈
• 分子量: 868.1
• InChiKey: VJXKFZXJSLYCOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  64
• 可旋转键数：
  3
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  217
• 氢给体数：
  7
• 氢受体数：
  9