I(2)-D-Glucopyranosyl (1I+/-,3I(2),4I+/-,24S)-24-[(I(2)-D-glucopyranosyloxy)methyl]-1,3,24-trihydroxy-9,19-cyclolanostan-28-oate | 292167-40-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: I(2)-D-Glucopyranosyl (1I+/-,3I(2),4I+/-,24S)-24-[(I(2)-D-glucopyranosyloxy)methyl]-1,3,24-trihydroxy-9,19-cyclolanostan-28-oate
• 英文别名: [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4,6-dihydroxy-15-[(2R,5S)-5-hydroxy-6-methyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]heptan-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylate
• CAS: 292167-40-9
• 化学式: C₄₃H₇₂O₁₆
• 分子量: 845.0
• InChiKey: NUJWBDOJBSCJEG-VMMOFQPISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  59
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  277
• 氢给体数：
  11
• 氢受体数：
  16