2-[[13,21-Dihydroxy-31-[2-[4-hydroxy-3-[(3-hydroxyphenyl)methyl]phenyl]ethyl]-15-(hydroxymethyl)-38-methoxy-7-spiro[6-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),11(15),12-triene-5,1'-cyclohexane]-16-yl-11,24-dioxa-2,39,41-triazanonacyclo[23.16.1.12,5.116,20.04,9.012,17.023,28.034,42.035,40]tetratetraconta-1(42),3,5(44),6,8,12,14,16,18,26,34-undecaen-32-yn-26-yl]methyl]-1-(3-methoxypropyl)guanidine

• 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-[[13,21-Dihydroxy-31-[2-[4-hydroxy-3-[(3-hydroxyphenyl)methyl]phenyl]ethyl]-15-(hydroxymethyl)-38-methoxy-7-spiro[6-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),11(15),12-triene-5,1'-cyclohexane]-16-yl-11,24-dioxa-2,39,41-triazanonacyclo[23.16.1.12,5.116,20.04,9.012,17.023,28.034,42.035,40]tetratetraconta-1(42),3,5(44),6,8,12,14,16,18,26,34-undecaen-32-yn-26-yl]methyl]-1-(3-methoxypropyl)guanidine
• 英文别名: 2-[[13,21-dihydroxy-31-[2-[4-hydroxy-3-[(3-hydroxyphenyl)methyl]phenyl]ethyl]-15-(hydroxymethyl)-38-methoxy-7-spiro[6-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),11(15),12-triene-5,1'-cyclohexane]-16-yl-11,24-dioxa-2,39,41-triazanonacyclo[23.16.1.12,5.116,20.04,9.012,17.023,28.034,42.035,40]tetratetraconta-1(42),3,5(44),6,8,12,14,16,18,26,34-undecaen-32-yn-26-yl]methyl]-1-(3-methoxypropyl)guanidine
• 化学式: C₈₂H₉₄N₆O₁₀
• 分子量: 1323.7
• InChiKey: KLFTZKYJODDVNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  98
• 可旋转键数：
  15
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  227
• 氢给体数：
  9
• 氢受体数：
  13