5-(29-Amino-24-hydroxyspiro[10,17-dioxa-4,30-diaza-8-azoniaoctacyclo[26.6.2.15,8.02,6.09,21.011,16.025,35.032,36]heptatriaconta-2(6),3,5(37),11(16),12,14,25(35),26,28(36),33-decaen-18,22-diyne-20,1'-cyclopentane]-13-yl)-1-hydroxy-1-(4-methylcyclohex-2-en-1-yl)pentan-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: 5-(29-Amino-24-hydroxyspiro[10,17-dioxa-4,30-diaza-8-azoniaoctacyclo[26.6.2.15,8.02,6.09,21.011,16.025,35.032,36]heptatriaconta-2(6),3,5(37),11(16),12,14,25(35),26,28(36),33-decaen-18,22-diyne-20,1'-cyclopentane]-13-yl)-1-hydroxy-1-(4-methylcyclohex-2-en-1-yl)pentan-3-one
• 英文别名: 5-(29-amino-24-hydroxyspiro[10,17-dioxa-4,30-diaza-8-azoniaoctacyclo[26.6.2.15,8.02,6.09,21.011,16.025,35.032,36]heptatriaconta-2(6),3,5(37),11(16),12,14,25(35),26,28(36),33-decaen-18,22-diyne-20,1'-cyclopentane]-13-yl)-1-hydroxy-1-(4-methylcyclohex-2-en-1-yl)pentan-3-one
• 化学式: C48H51N4O5+
• 分子量: 763.9
• InChiKey: GAFWPLVAWPVUNK-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  57
• 可旋转键数：
  6
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  131
• 氢给体数：
  5
• 氢受体数：
  8