[39-Amino-19-(ethylamino)-9,31-dihydroxy-5,34-bis(hydroxymethyl)-13-methyl-7-oxospiro[4,12-dioxa-18,38-diazanonacyclo[23.9.6.210,13.02,11.03,8.014,24.016,21.028,33.035,40]dotetraconta-2(11),3(8),5,9,16,20,28(33),29,31,35,39-undecaene-26,1'-cyclopentane]-41-yl] 2-[4,12-dihydroxy-3-(2-hydroxy-4-methylpentyl)-12-tetracyclo[7.5.1.110,13.05,15]hexadeca-5,7,9(15)-trienyl]but-2-enoate

• 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: [39-Amino-19-(ethylamino)-9,31-dihydroxy-5,34-bis(hydroxymethyl)-13-methyl-7-oxospiro[4,12-dioxa-18,38-diazanonacyclo[23.9.6.210,13.02,11.03,8.014,24.016,21.028,33.035,40]dotetraconta-2(11),3(8),5,9,16,20,28(33),29,31,35,39-undecaene-26,1'-cyclopentane]-41-yl] 2-[4,12-dihydroxy-3-(2-hydroxy-4-methylpentyl)-12-tetracyclo[7.5.1.110,13.05,15]hexadeca-5,7,9(15)-trienyl]but-2-enoate
• 英文别名: [39-amino-19-(ethylamino)-9,31-dihydroxy-5,34-bis(hydroxymethyl)-13-methyl-7-oxospiro[4,12-dioxa-18,38-diazanonacyclo[23.9.6.210,13.02,11.03,8.014,24.016,21.028,33.035,40]dotetraconta-2(11),3(8),5,9,16,20,28(33),29,31,35,39-undecaene-26,1'-cyclopentane]-41-yl] 2-[4,12-dihydroxy-3-(2-hydroxy-4-methylpentyl)-12-tetracyclo[7.5.1.110,13.05,15]hexadeca-5,7,9(15)-trienyl]but-2-enoate
• 化学式: C₇₃H₉₀N₄O₁₂
• 分子量: 1215.5
• InChiKey: NTRXQPCHFUINGU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  89
• 可旋转键数：
  12
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  266
• 氢给体数：
  11
• 氢受体数：
  16