1-[3-[6-[[4,5-Dihydroxy-3-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-(hydroxymethyl)-4,4',10,13,14-pentamethylspiro[1,2,3,5,6,7,11,12,15,17-decahydrocyclopenta[a]phenanthrene-16,5'-oxolane]-2'-yl]propan-1-one

• 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-[3-[6-[[4,5-Dihydroxy-3-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-(hydroxymethyl)-4,4',10,13,14-pentamethylspiro[1,2,3,5,6,7,11,12,15,17-decahydrocyclopenta[a]phenanthrene-16,5'-oxolane]-2'-yl]propan-1-one
• 英文别名: 1-[3-[6-[[4,5-dihydroxy-3-[5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-(hydroxymethyl)-4,4',10,13,14-pentamethylspiro[1,2,3,5,6,7,11,12,15,17-decahydrocyclopenta[a]phenanthrene-16,5'-oxolane]-2'-yl]propan-1-one
• 化学式: C₅₈H₉₄O₂₇
• 分子量: 1223.3
• InChiKey: CDLMPGBAVPCJCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.3
• 重原子数：
  85
• 可旋转键数：
  16
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  422
• 氢给体数：
  15
• 氢受体数：
  27