6-(1,2,4,4a,5,6-Hexahydrobenzo[f]isochromen-10b-yl)-14-amino-20-[6-[4-hydroxy-3-[(3-hydroxyphenyl)methyl]phenyl]hexyl]-26-(hydroxymethyl)-2,19-dioxa-11,13-diazapentacyclo[23.3.1.18,11.04,9.012,17]triaconta-1(28),4,6,8(30),9,12(17),15,25(29),26-nonaene-22,28-diol

• 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: 6-(1,2,4,4a,5,6-Hexahydrobenzo[f]isochromen-10b-yl)-14-amino-20-[6-[4-hydroxy-3-[(3-hydroxyphenyl)methyl]phenyl]hexyl]-26-(hydroxymethyl)-2,19-dioxa-11,13-diazapentacyclo[23.3.1.18,11.04,9.012,17]triaconta-1(28),4,6,8(30),9,12(17),15,25(29),26-nonaene-22,28-diol
• 英文别名: 6-(1,2,4,4a,5,6-hexahydrobenzo[f]isochromen-10b-yl)-14-amino-20-[6-[4-hydroxy-3-[(3-hydroxyphenyl)methyl]phenyl]hexyl]-26-(hydroxymethyl)-2,19-dioxa-11,13-diazapentacyclo[23.3.1.18,11.04,9.012,17]triaconta-1(28),4,6,8(30),9,12(17),15,25(29),26-nonaene-22,28-diol
• 化学式: C₅₉H₆₇N₃O₈
• 分子量: 946.2
• InChiKey: MANRSCVLIQEQJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  70
• 可旋转键数：
  11
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  172
• 氢给体数：
  7
• 氢受体数：
  10