2-[2-[34-Amino-8,14,19,28-tetrahydroxy-4-methyl-13-(11-methyl-7-methylidene-1-oxacyclopentadeca-3,5,10-trien-13-yn-3-yl)-3,32-dioxo-30,33-diazaheptacyclo[29.7.1.112,15.121,25.05,16.08,15.035,39]hentetraconta-1(39),4,21(40),22,24,35,37-heptaen-27-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-[34-Amino-8,14,19,28-tetrahydroxy-4-methyl-13-(11-methyl-7-methylidene-1-oxacyclopentadeca-3,5,10-trien-13-yn-3-yl)-3,32-dioxo-30,33-diazaheptacyclo[29.7.1.112,15.121,25.05,16.08,15.035,39]hentetraconta-1(39),4,21(40),22,24,35,37-heptaen-27-yl]-2-(4-hydroxyphenyl)ethyl]guanidine
• 英文别名: 2-[2-[34-amino-8,14,19,28-tetrahydroxy-4-methyl-13-(11-methyl-7-methylidene-1-oxacyclopentadeca-3,5,10-trien-13-yn-3-yl)-3,32-dioxo-30,33-diazaheptacyclo[29.7.1.112,15.121,25.05,16.08,15.035,39]hentetraconta-1(39),4,21(40),22,24,35,37-heptaen-27-yl]-2-(4-hydroxyphenyl)ethyl]guanidine
• 化学式: C₆₅H₈₂N₆O₈
• 分子量: 1075.4
• InChiKey: KLGYEHLANYHBDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  79
• 可旋转键数：
  5
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  259
• 氢给体数：
  10
• 氢受体数：
  11