[(3S,4R,5R,6S,8S,9R,10S,13R,14S,15R,17R)-3,4,8,15-tetrahydroxy-17-[(1R,4S)-4-[(2R,3R,4S,5R)-4-hydroxy-3-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethoxy-tetrahydropyran-2-yl]oxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-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,4R,5R,6S,8S,9R,10S,13R,14S,15R,17R)-3,4,8,15-tetrahydroxy-17-[(1R,4S)-4-[(2R,3R,4S,5R)-4-hydroxy-3-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethoxy-tetrahydropyran-2-yl]oxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] hydrogen sulfate
• 英文别名: [(3S,4R,5R,6S,8S,9R,10S,13R,14S,15R,17R)-3,4,8,15-tetrahydroxy-17-[(2R,5S)-5-[(2R,3R,4S,5R)-4-hydroxy-3-[(2S,3R,4S,5R)-4-hydroxy-3,5-dimethoxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl] hydrogen sulfate
• 化学式: C₃₉H₆₈O₁₇S
• 分子量: 841.0
• InChiKey: SBUYWVKFMQFUOY-HPWQZGQYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  57
• 可旋转键数：
  14
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  269
• 氢给体数：
  8
• 氢受体数：
  17