[17-[5-[2-[3-(4,5-Dihydroxy-3-methoxyoxan-2-yl)oxy-4-hydroxy-5-methoxyoxan-2-yl]oxyethyl]-6-methylheptan-2-yl]-3,4,8,15,16-pentahydroxy-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: [17-[5-[2-[3-(4,5-Dihydroxy-3-methoxyoxan-2-yl)oxy-4-hydroxy-5-methoxyoxan-2-yl]oxyethyl]-6-methylheptan-2-yl]-3,4,8,15,16-pentahydroxy-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: [17-[5-[2-[3-(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy-4-hydroxy-5-methoxyoxan-2-yl]oxyethyl]-6-methylheptan-2-yl]-3,4,8,15,16-pentahydroxy-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: C₄₁H₇₂O₁₈S
• 分子量: 885.1
• InChiKey: IWGULSBJWBCGPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  60
• 可旋转键数：
  15
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  289
• 氢给体数：
  9
• 氢受体数：
  18