6-[[10-Benzoyloxy-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid

• 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: 6-[[10-Benzoyloxy-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
• 英文别名: 6-[[10-benzoyloxy-8,9-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
• 化学式: C₆₁H₉₂O₂₆
• 分子量: 1241.4
• InChiKey: UEAMSIAEVVFVPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  87
• 可旋转键数：
  15
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  421
• 氢给体数：
  15
• 氢受体数：
  26