2-[2-[31-Amino-3'-[7-(ethylamino)-1-hydroxy-10-methyl-6-methylideneundeca-2,4,9-trien-2-yl]-2',10,15,36-tetrahydroxy-6,10-dimethyl-5,33-dioxospiro[24,25-dithia-32,34-diazahexacyclo[20.11.4.117,21.02,30.03,27.07,12]octatriaconta-2(30),3(27),6,17(38),18,20,28-heptaene-11,1'-cyclopentane]-37-yl]-2-(4-hydroxyphenyl)ethyl]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-[2-[31-Amino-3'-[7-(ethylamino)-1-hydroxy-10-methyl-6-methylideneundeca-2,4,9-trien-2-yl]-2',10,15,36-tetrahydroxy-6,10-dimethyl-5,33-dioxospiro[24,25-dithia-32,34-diazahexacyclo[20.11.4.117,21.02,30.03,27.07,12]octatriaconta-2(30),3(27),6,17(38),18,20,28-heptaene-11,1'-cyclopentane]-37-yl]-2-(4-hydroxyphenyl)ethyl]guanidine
• 英文别名: 2-[2-[31-amino-3'-[7-(ethylamino)-1-hydroxy-10-methyl-6-methylideneundeca-2,4,9-trien-2-yl]-2',10,15,36-tetrahydroxy-6,10-dimethyl-5,33-dioxospiro[24,25-dithia-32,34-diazahexacyclo[20.11.4.117,21.02,30.03,27.07,12]octatriaconta-2(30),3(27),6,17(38),18,20,28-heptaene-11,1'-cyclopentane]-37-yl]-2-(4-hydroxyphenyl)ethyl]guanidine
• 化学式: C₆₄H₈₇N₇O₈S₂
• 分子量: 1146.6
• InChiKey: JFHVBEZYIIDHLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  81
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  333
• 氢给体数：
  12
• 氢受体数：
  14