2-[2-[3,16'-Dihydroxy-5,9',13'-trimethyl-7'-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyspiro[3,4-dihydropyran-2,6'-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene]-14'-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

• 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: 2-[2-[3,16'-Dihydroxy-5,9',13'-trimethyl-7'-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyspiro[3,4-dihydropyran-2,6'-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene]-14'-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 英文别名: 2-[2-[3,16'-dihydroxy-5,9',13'-trimethyl-7'-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyspiro[3,4-dihydropyran-2,6'-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene]-14'-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 化学式: C₅₆H₈₈O₂₉
• 分子量: 1225.3
• InChiKey: ZBIKNNFJEIQRKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.8
• 重原子数：
  85
• 可旋转键数：
  13
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  455
• 氢给体数：
  17
• 氢受体数：
  29