[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-(4,12,15-trihydroxy-4-pentacyclo[9.7.1.13,6.07,19.013,18]icosa-7(19),8,10,16-tetraenyl)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-(4,12,15-trihydroxy-4-pentacyclo[9.7.1.13,6.07,19.013,18]icosa-7(19),8,10,16-tetraenyl)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-(4,12,15-trihydroxy-4-pentacyclo[9.7.1.13,6.07,19.013,18]icosa-7(19),8,10,16-tetraenyl)but-2-enoate
• 化学式: C₇₁H₈₂N₄O₁₂
• 分子量: 1183.4
• InChiKey: ABWHEDQTNFLJGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  87
• 可旋转键数：
  8
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  266
• 氢给体数：
  11
• 氢受体数：
  16