[4-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-[[4-hydroxy-17-(1-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-15-oxo-1,2,3,4,7,8,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

• 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: [4-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-[[4-hydroxy-17-(1-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-15-oxo-1,2,3,4,7,8,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
• 英文别名: [4-[4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-[[4-hydroxy-17-(1-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-15-oxo-1,2,3,4,7,8,9,11,12,14,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
• 化学式: C₅₂H₈₄O₂₄
• 分子量: 1093.2
• InChiKey: BEJTVEKKHLVIPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  76
• 可旋转键数：
  19
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  380
• 氢给体数：
  13
• 氢受体数：
  24