[1-Hydroxy-3-methyl-4-(3,22,23,37,38-pentahydroxy-5,39-dimethyl-25-methylidene-29-oxo-19,28,43,44,45,46,47,48-octaoxadecacyclo[33.7.1.11,8.19,13.114,17.121,24.130,34.02,7.018,20.037,42]octatetraconta-2(7),3,5,11,31-pentaen-27-yl)butan-2-yl] hydrogen sulfate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: [1-Hydroxy-3-methyl-4-(3,22,23,37,38-pentahydroxy-5,39-dimethyl-25-methylidene-29-oxo-19,28,43,44,45,46,47,48-octaoxadecacyclo[33.7.1.11,8.19,13.114,17.121,24.130,34.02,7.018,20.037,42]octatetraconta-2(7),3,5,11,31-pentaen-27-yl)butan-2-yl] hydrogen sulfate
• 英文别名: [1-hydroxy-3-methyl-4-(3,22,23,37,38-pentahydroxy-5,39-dimethyl-25-methylidene-29-oxo-19,28,43,44,45,46,47,48-octaoxadecacyclo[33.7.1.11,8.19,13.114,17.121,24.130,34.02,7.018,20.037,42]octatetraconta-2(7),3,5,11,31-pentaen-27-yl)butan-2-yl] hydrogen sulfate
• 化学式: C₄₈H₆₄O₁₉S
• 分子量: 977.1
• InChiKey: TXNWOUYYKHHVPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  68
• 可旋转键数：
  6
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  288
• 氢给体数：
  7
• 氢受体数：
  19