3-[2-Amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-9-[1-(3,7-dihydroxy-13-propyl-9-oxatricyclo[8.5.0.02,8]pentadecan-7-yl)-1-hydroxyethyl]-6,12,18,19-tetrahydroxy-14-(2-hydroxypropylamino)-8-[18-(methylaminomethyl)-2-oxapentacyclo[9.8.1.03,7.08,20.013,18]icosa-8,11(20)-dien-15-yl]pentacyclo[11.7.1.01,16.06,21.08,12]henicosa-4,13-dien-15-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: 3-[2-Amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-9-[1-(3,7-dihydroxy-13-propyl-9-oxatricyclo[8.5.0.02,8]pentadecan-7-yl)-1-hydroxyethyl]-6,12,18,19-tetrahydroxy-14-(2-hydroxypropylamino)-8-[18-(methylaminomethyl)-2-oxapentacyclo[9.8.1.03,7.08,20.013,18]icosa-8,11(20)-dien-15-yl]pentacyclo[11.7.1.01,16.06,21.08,12]henicosa-4,13-dien-15-one
• 英文别名: 3-[2-amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-9-[1-(3,7-dihydroxy-13-propyl-9-oxatricyclo[8.5.0.02,8]pentadecan-7-yl)-1-hydroxyethyl]-6,12,18,19-tetrahydroxy-14-(2-hydroxypropylamino)-8-[18-(methylaminomethyl)-2-oxapentacyclo[9.8.1.03,7.08,20.013,18]icosa-8,11(20)-dien-15-yl]pentacyclo[11.7.1.01,16.06,21.08,12]henicosa-4,13-dien-15-one
• 化学式: C₇₂H₁₀₈N₄O₁₂
• 分子量: 1221.6
• InChiKey: UVNNGLNFJSJOCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  88
• 可旋转键数：
  14
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  280
• 氢给体数：
  13
• 氢受体数：
  16