10-[3,4-Dihydroxy-5-(2-hydroxyethyl)phenyl]-4-(5-ethyl-6,8-diazatricyclo[7.3.1.02,7]trideca-2,4,10-trien-4-yl)-6,17,18,19,25,25,26,27,33-nonahydroxy-30-(hydroxymethyl)-8,32,46-trioxo-11,15,44,45,47-pentaoxa-37-azanonacyclo[17.16.8.220,28.116,20.124,28.02,16.05,14.07,12.036,40]heptatetraconta-2,5(14),6,9,12,36(40),38-heptaen-22,41-diyne-24-carboxylic acid

• 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: 10-[3,4-Dihydroxy-5-(2-hydroxyethyl)phenyl]-4-(5-ethyl-6,8-diazatricyclo[7.3.1.02,7]trideca-2,4,10-trien-4-yl)-6,17,18,19,25,25,26,27,33-nonahydroxy-30-(hydroxymethyl)-8,32,46-trioxo-11,15,44,45,47-pentaoxa-37-azanonacyclo[17.16.8.220,28.116,20.124,28.02,16.05,14.07,12.036,40]heptatetraconta-2,5(14),6,9,12,36(40),38-heptaen-22,41-diyne-24-carboxylic acid
• 英文别名: 10-[3,4-dihydroxy-5-(2-hydroxyethyl)phenyl]-4-(5-ethyl-6,8-diazatricyclo[7.3.1.02,7]trideca-2,4,10-trien-4-yl)-6,17,18,19,25,25,26,27,33-nonahydroxy-30-(hydroxymethyl)-8,32,46-trioxo-11,15,44,45,47-pentaoxa-37-azanonacyclo[17.16.8.220,28.116,20.124,28.02,16.05,14.07,12.036,40]heptatetraconta-2,5(14),6,9,12,36(40),38-heptaen-22,41-diyne-24-carboxylic acid
• 化学式: C₆₄H₆₅N₃O₂₃
• 分子量: 1244.2
• InChiKey: ALUBACUDEXKFOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  90
• 可旋转键数：
  7
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  438
• 氢给体数：
  17
• 氢受体数：
  25