5-(4-Amino-9,19-dihydroxyspiro[16,23-dioxa-36,37-dithia-3,29-diaza-25-azonianonacyclo[19.13.4.25,8.125,28.01,6.07,32.012,24.017,22.027,31]hentetraconta-5,7,17(22),18,20,26,28,30,33,40-decaen-10,14-diyne-13,1'-cyclopentane]-20-yl)-1-(4-cyclopentyl-6-hydroxycyclohex-2-en-1-yl)-1-hydroxypentan-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-azonianonacyclo[19.13.4.25,8.125,28.01,6.07,32.012,24.017,22.027,31]hentetraconta-5,7,17(22),18,20,26,28,30,33,40-decaen-10,14-diyne-13,1'-cyclopentane]-20-yl)-1-(4-cyclopentyl-6-hydroxycyclohex-2-en-1-yl)-1-hydroxypentan-3-one
• 英文别名: 5-(4-amino-9,19-dihydroxyspiro[16,23-dioxa-36,37-dithia-3,29-diaza-25-azonianonacyclo[19.13.4.25,8.125,28.01,6.07,32.012,24.017,22.027,31]hentetraconta-5,7,17(22),18,20,26,28,30,33,40-decaen-10,14-diyne-13,1'-cyclopentane]-20-yl)-1-(4-cyclopentyl-6-hydroxycyclohex-2-en-1-yl)-1-hydroxypentan-3-one
• 化学式: C54H59N4O7S2+
• 分子量: 940.2
• InChiKey: QMEUDKCCGQCQLC-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  67
• 可旋转键数：
  7
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  222
• 氢给体数：
  7
• 氢受体数：
  12