8'-[2-Amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-17'-[1-(3,7-dihydroxy-13-propyl-9-oxatricyclo[8.5.0.02,8]pentadecan-7-yl)-1-hydroxyethyl]-3',4',11',14'-tetrahydroxy-19'-(hydroxymethyl)-24'-(2-hydroxypropylamino)spiro[cyclopentane-1,22'-hexacyclo[11.9.2.111,18.01,6.06,12.014,18]pentacosa-9,13(24)-dien-20-yne]-23'-one

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 8'-[2-Amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-17'-[1-(3,7-dihydroxy-13-propyl-9-oxatricyclo[8.5.0.02,8]pentadecan-7-yl)-1-hydroxyethyl]-3',4',11',14'-tetrahydroxy-19'-(hydroxymethyl)-24'-(2-hydroxypropylamino)spiro[cyclopentane-1,22'-hexacyclo[11.9.2.111,18.01,6.06,12.014,18]pentacosa-9,13(24)-dien-20-yne]-23'-one
• 英文别名: 8'-[2-amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-17'-[1-(3,7-dihydroxy-13-propyl-9-oxatricyclo[8.5.0.02,8]pentadecan-7-yl)-1-hydroxyethyl]-3',4',11',14'-tetrahydroxy-19'-(hydroxymethyl)-24'-(2-hydroxypropylamino)spiro[cyclopentane-1,22'-hexacyclo[11.9.2.111,18.01,6.06,12.014,18]pentacosa-9,13(24)-dien-20-yne]-23'-one
• 化学式: C₆₀H₈₉N₃O₁₂
• 分子量: 1044.4
• InChiKey: HWTRRBHPOLXSEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  75
• 可旋转键数：
  12
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  279
• 氢给体数：
  13
• 氢受体数：
  15