[17-[5-[2-[5-(1,2-Dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxyethyl]-6-methylheptan-2-yl]-3-(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy-6,8,16-trihydroxy-10,13-dimethyl-1,2,3,6,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[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: [17-[5-[2-[5-(1,2-Dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxyethyl]-6-methylheptan-2-yl]-3-(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy-6,8,16-trihydroxy-10,13-dimethyl-1,2,3,6,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-15-yl] hydrogen sulfate
• 英文别名: [17-[5-[2-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxyethyl]-6-methylheptan-2-yl]-3-(4,5-dihydroxy-3-methoxyoxan-2-yl)oxy-6,8,16-trihydroxy-10,13-dimethyl-1,2,3,6,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-15-yl] hydrogen sulfate
• 化学式: C₄₁H₇₀O₁₈S
• 分子量: 883.0
• InChiKey: LNJBAYTXSQUYGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  60
• 可旋转键数：
  16
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  300
• 氢给体数：
  10
• 氢受体数：
  18