[42-Amino-19-(ethylamino)-9,34-dihydroxy-5,37-bis(hydroxymethyl)-13-methyl-7-oxo-4,12-dioxa-18,41-diazaundecacyclo[20.15.9.210,13.126,29.02,11.03,8.014,45.016,21.029,44.031,36.038,43]nonatetraconta-2(11),3(8),5,9,16,20,31(36),32,34,38,42-undecaen-48-yl] 2-(4',8a,12'-trihydroxyspiro[1,2,3,4,4a,5,6,8-octahydronaphthalene-7,3'-tetracyclo[7.5.1.110,13.05,15]hexadeca-5,7,9(15)-triene]-12'-yl)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: [42-Amino-19-(ethylamino)-9,34-dihydroxy-5,37-bis(hydroxymethyl)-13-methyl-7-oxo-4,12-dioxa-18,41-diazaundecacyclo[20.15.9.210,13.126,29.02,11.03,8.014,45.016,21.029,44.031,36.038,43]nonatetraconta-2(11),3(8),5,9,16,20,31(36),32,34,38,42-undecaen-48-yl] 2-(4',8a,12'-trihydroxyspiro[1,2,3,4,4a,5,6,8-octahydronaphthalene-7,3'-tetracyclo[7.5.1.110,13.05,15]hexadeca-5,7,9(15)-triene]-12'-yl)but-2-enoate
• 英文别名: [42-amino-19-(ethylamino)-9,34-dihydroxy-5,37-bis(hydroxymethyl)-13-methyl-7-oxo-4,12-dioxa-18,41-diazaundecacyclo[20.15.9.210,13.126,29.02,11.03,8.014,45.016,21.029,44.031,36.038,43]nonatetraconta-2(11),3(8),5,9,16,20,31(36),32,34,38,42-undecaen-48-yl] 2-(4',8a,12'-trihydroxyspiro[1,2,3,4,4a,5,6,8-octahydronaphthalene-7,3'-tetracyclo[7.5.1.110,13.05,15]hexadeca-5,7,9(15)-triene]-12'-yl)but-2-enoate
• 化学式: C₇₉H₉₆N₄O₁₂
• 分子量: 1293.6
• InChiKey: DCGDZXPUBBMISF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  95
• 可旋转键数：
  8
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  266
• 氢给体数：
  11
• 氢受体数：
  16