1-(22-Amino-17-hydroxyspiro[3,10-dioxa-23,31-diaza-1-azoniaheptacyclo[30.2.1.02,14.04,9.018,27.021,26.029,33]pentatriaconta-4(9),5,7,18(27),19,21(26),29(33),30,32(35)-nonaen-11,15-diyne-13,1'-cyclopentane]-6-yl)-4-[hydroxy-(4-methylcyclohex-2-en-1-yl)methyl]nonan-3-one

• 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: 1-(22-Amino-17-hydroxyspiro[3,10-dioxa-23,31-diaza-1-azoniaheptacyclo[30.2.1.02,14.04,9.018,27.021,26.029,33]pentatriaconta-4(9),5,7,18(27),19,21(26),29(33),30,32(35)-nonaen-11,15-diyne-13,1'-cyclopentane]-6-yl)-4-[hydroxy-(4-methylcyclohex-2-en-1-yl)methyl]nonan-3-one
• 英文别名: 1-(22-amino-17-hydroxyspiro[3,10-dioxa-23,31-diaza-1-azoniaheptacyclo[30.2.1.02,14.04,9.018,27.021,26.029,33]pentatriaconta-4(9),5,7,18(27),19,21(26),29(33),30,32(35)-nonaen-11,15-diyne-13,1'-cyclopentane]-6-yl)-4-[hydroxy-(4-methylcyclohex-2-en-1-yl)methyl]nonan-3-one
• 化学式: C51H61N4O5+
• 分子量: 810.1
• InChiKey: DDKHNIIKRCZRRZ-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  60
• 可旋转键数：
  10
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  131
• 氢给体数：
  5
• 氢受体数：
  8