2-[4a-(Diaminomethylideneamino)-15'-(3,4-dihydronaphthalen-2-yl)-1,8a,16',19'-tetrahydroxy-8,9',13',22'-tetramethyl-10',24'-dioxospiro[1,3,4,8-tetrahydronaphthalene-7,21'-hexacyclo[11.11.0.02,16.03,19.03,22.09,14]tetracosa-1,17-dien-6-yne]-2-ylidene]-4-hydroxypentanoic 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: 2-[4a-(Diaminomethylideneamino)-15'-(3,4-dihydronaphthalen-2-yl)-1,8a,16',19'-tetrahydroxy-8,9',13',22'-tetramethyl-10',24'-dioxospiro[1,3,4,8-tetrahydronaphthalene-7,21'-hexacyclo[11.11.0.02,16.03,19.03,22.09,14]tetracosa-1,17-dien-6-yne]-2-ylidene]-4-hydroxypentanoic acid
• 英文别名: 2-[4a-(diaminomethylideneamino)-15'-(3,4-dihydronaphthalen-2-yl)-1,8a,16',19'-tetrahydroxy-8,9',13',22'-tetramethyl-10',24'-dioxospiro[1,3,4,8-tetrahydronaphthalene-7,21'-hexacyclo[11.11.0.02,16.03,19.03,22.09,14]tetracosa-1,17-dien-6-yne]-2-ylidene]-4-hydroxypentanoic acid
• 化学式: C₅₃H₆₃N₃O₉
• 分子量: 886.1
• InChiKey: JIXKYWUSOMTSPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  65
• 可旋转键数：
  5
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  237
• 氢给体数：
  8
• 氢受体数：
  10