3β-O-(β-D-glucopyranosyl-(1->4)-β-D-sarmentopyranosyl)-16β-acetoxy-14-hydroxy-5β,14β-card-20(22)-enolide | 52470-13-0

• 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: 3β-O-(β-D-glucopyranosyl-(1->4)-β-D-sarmentopyranosyl)-16β-acetoxy-14-hydroxy-5β,14β-card-20(22)-enolide
• 英文别名: oleandrigenin β-D-glucosyl-β-D-sarmentoside；16β-acetoxy-3β-(O⁴-β-D-glucopyranosyl-O³-methyl-β-D-xylo-2,6-dideoxy-hexopyranosyloxy)-14-hydroxy-5β,14β-card-20(22)-enolide；16β-Acetoxy-3β-(O⁴-β-D-glucopyranosyl-O³-methyl-β-D-xylo-2,6-didesoxy-hexopyranosyloxy)-14-hydroxy-5β,14β-card-20(22)-enolid；[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
• CAS: 52470-13-0；56774-61-9；143212-69-5；144223-64-3
• 化学式: C₃₈H₅₈O₁₄
• 分子量: 738.87
• InChiKey: ITYAEKHTQKSNBZ-DCXWQUGYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  52
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  200
• 氢给体数：
  5
• 氢受体数：
  14