4-[2-Amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-13-[(2-cyclohexyl-2-hydroxyethyl)amino]-18-[1-(3,7-dihydroxy-13-propyl-9-oxatricyclo[8.5.0.02,8]pentadecan-7-yl)-1-hydroxyethyl]-8,9,15,21-tetrahydroxy-19-(2-hydroxyethyl)pentacyclo[12.7.0.01,6.06,11.015,19]henicosa-2,13-dien-12-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: 4-[2-Amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-13-[(2-cyclohexyl-2-hydroxyethyl)amino]-18-[1-(3,7-dihydroxy-13-propyl-9-oxatricyclo[8.5.0.02,8]pentadecan-7-yl)-1-hydroxyethyl]-8,9,15,21-tetrahydroxy-19-(2-hydroxyethyl)pentacyclo[12.7.0.01,6.06,11.015,19]henicosa-2,13-dien-12-one
• 英文别名: 4-[2-amino-6-(3-hydroxypropyl)-1,2-dihydropyridin-5-yl]-13-[(2-cyclohexyl-2-hydroxyethyl)amino]-18-[1-(3,7-dihydroxy-13-propyl-9-oxatricyclo[8.5.0.02,8]pentadecan-7-yl)-1-hydroxyethyl]-8,9,15,21-tetrahydroxy-19-(2-hydroxyethyl)pentacyclo[12.7.0.01,6.06,11.015,19]henicosa-2,13-dien-12-one
• 化学式: C₅₈H₉₁N₃O₁₂
• 分子量: 1022.4
• InChiKey: JKWWLVAIHKEWLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  73
• 可旋转键数：
  14
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  279
• 氢给体数：
  13
• 氢受体数：
  15