[3-hydroxy-17-[1-[5-hydroxy-4-[3-(3-hydroxy-10,13-dimethyl-2,6-disulfooxy-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl]-7,7-dimethyl-3-oxabicyclo[3.2.1]octan-2-yl]ethyl]-4,10,13-trimethyl-2-sulfooxy-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[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 - 异戊烯醇脂质
• 英文名称: [3-hydroxy-17-[1-[5-hydroxy-4-[3-(3-hydroxy-10,13-dimethyl-2,6-disulfooxy-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl]-7,7-dimethyl-3-oxabicyclo[3.2.1]octan-2-yl]ethyl]-4,10,13-trimethyl-2-sulfooxy-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate
• 化学式: C₅₄H₈₆O₂₀S₄
• 分子量: 1183.5
• InChiKey: SZJBCVTTWDKXPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  78
• 可旋转键数：
  14
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  358
• 氢给体数：
  7
• 氢受体数：
  20