[(3S,5S,6S,8R,9S,10R,13R,14S,15S,17R)-17-[(1R,4S)-1,5-dimethyl-4-[(3S,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-hexyl]-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-15-yl] hydrogen sulfate

• 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: [(3S,5S,6S,8R,9S,10R,13R,14S,15S,17R)-17-[(1R,4S)-1,5-dimethyl-4-[(3S,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-hexyl]-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-15-yl] hydrogen sulfate
• 英文别名: [(3S,5S,6S,8R,9S,10R,13R,14S,15S,17R)-3,6-dihydroxy-10,13-dimethyl-17-[(2R,5S)-6-methyl-5-[(3S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-15-yl] hydrogen sulfate
• 化学式: C₃₂H₅₆O₁₁S
• 分子量: 648.8
• InChiKey: OKAHKEMGGOSBJG-CBNUZUHPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  44
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  192
• 氢给体数：
  6
• 氢受体数：
  11