I(2)-D-Glucopyranosyl (3I(2))-3-[(O-I(2)-D-glucopyranosyl-(1a3)-O-[I(2)-D-glucopyranosyl-(1a4)]-I(2)-D-glucopyranosyl)oxy]olean-12-en-28-oate | 144077-05-4

• 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 (3I(2))-3-[(O-I(2)-D-glucopyranosyl-(1a3)-O-[I(2)-D-glucopyranosyl-(1a4)]-I(2)-D-glucopyranosyl)oxy]olean-12-en-28-oate
• 英文别名: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3-hydroxy-6-(hydroxymethyl)-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• CAS: 144077-05-4
• 化学式: C₅₄H₈₈O₂₃
• 分子量: 1105.3
• InChiKey: MUJBUNJXXCRGGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  77
• 可旋转键数：
  13
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  374
• 氢给体数：
  14
• 氢受体数：
  23