1-(4-Hydroxy-2,2-dimethylbutyl)-8-[6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4a,4b,7,7,10a-pentamethyl-1,4,5,6,6a,8,9,10,10b,11-decahydrochrysene-2-carboxylic acid

• 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: 1-(4-Hydroxy-2,2-dimethylbutyl)-8-[6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4a,4b,7,7,10a-pentamethyl-1,4,5,6,6a,8,9,10,10b,11-decahydrochrysene-2-carboxylic acid
• 英文别名: 1-(4-hydroxy-2,2-dimethylbutyl)-8-[6-(hydroxymethyl)-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4a,4b,7,7,10a-pentamethyl-1,4,5,6,6a,8,9,10,10b,11-decahydrochrysene-2-carboxylic acid
• 化学式: C₅₄H₈₈O₂₃
• 分子量: 1105.3
• InChiKey: ZFGVNCHKWVBXPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  77
• 可旋转键数：
  16
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  374
• 氢给体数：
  14
• 氢受体数：
  23