5-(4-Amino-9,19-dihydroxyspiro[16,23-dioxa-36,37-dithia-3,29-diaza-25-azoniaoctacyclo[19.13.4.125,28.05,34.08,33.012,24.017,22.027,31]nonatriaconta-5(34),6,8(33),17(22),18,20,26,28,30-nonaen-10,14-diyne-13,1'-cyclopentane]-20-yl)-1-hydroxy-1-(6-hydroxy-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-(4-Amino-9,19-dihydroxyspiro[16,23-dioxa-36,37-dithia-3,29-diaza-25-azoniaoctacyclo[19.13.4.125,28.05,34.08,33.012,24.017,22.027,31]nonatriaconta-5(34),6,8(33),17(22),18,20,26,28,30-nonaen-10,14-diyne-13,1'-cyclopentane]-20-yl)-1-hydroxy-1-(6-hydroxy-4-methylcyclohex-2-en-1-yl)pentan-3-one
• 英文别名: 5-(4-amino-9,19-dihydroxyspiro[16,23-dioxa-36,37-dithia-3,29-diaza-25-azoniaoctacyclo[19.13.4.125,28.05,34.08,33.012,24.017,22.027,31]nonatriaconta-5(34),6,8(33),17(22),18,20,26,28,30-nonaen-10,14-diyne-13,1'-cyclopentane]-20-yl)-1-hydroxy-1-(6-hydroxy-4-methylcyclohex-2-en-1-yl)pentan-3-one
• 化学式: C48H53N4O7S2+
• 分子量: 862.1
• InChiKey: SDHLFLNRHRJLKH-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  61
• 可旋转键数：
  6
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  222
• 氢给体数：
  7
• 氢受体数：
  12