2-[4,5-Dihydroxy-6-[[15-[3-hydroxy-6-methyl-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-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-[4,5-Dihydroxy-6-[[15-[3-hydroxy-6-methyl-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• 英文别名: 2-[4,5-dihydroxy-6-[[15-[3-hydroxy-6-methyl-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• 化学式: C₅₃H₈₈O₂₁
• 分子量: 1061.3
• InChiKey: KISTVNFIXBOXIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  74
• 可旋转键数：
  15
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  337
• 氢给体数：
  13
• 氢受体数：
  21