3beta-[[4-O-[4-O-(2,6-Dideoxy-beta-D-ribo-hexopyranosyl)-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl]-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy]-12beta,14-dihydroxy-5beta-cardanolide-20(22)-ene | 40246-14-8

• 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: 3beta-[[4-O-[4-O-(2,6-Dideoxy-beta-D-ribo-hexopyranosyl)-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl]-3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy]-12beta,14-dihydroxy-5beta-cardanolide-20(22)-ene
• 英文别名: [(2R,3R,4S,6R)-3-[(2S,4S,5R,6R)-4-acetyloxy-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-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-3-yl]oxy]-2-methyloxan-4-yl] acetate
• CAS: 40246-14-8
• 化学式: C₄₅H₆₈O₁₆
• 分子量: 865.0
• InChiKey: BFADKCDJNDVLOM-FNKXQZAISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  61
• 可旋转键数：
  11
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  215
• 氢给体数：
  4
• 氢受体数：
  16