8a-[3,5-Dihydroxy-6-[[3,4,5-trihydroxy-6-[(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxymethyl]oxan-2-yl]oxymethyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxycarbonyl-3,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-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: 8a-[3,5-Dihydroxy-6-[[3,4,5-trihydroxy-6-[(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxymethyl]oxan-2-yl]oxymethyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxycarbonyl-3,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
• 英文别名: 8a-[3,5-dihydroxy-6-[[3,4,5-trihydroxy-6-[(3-hydroxy-5-methoxy-3-methyl-5-oxopentanoyl)oxymethyl]oxan-2-yl]oxymethyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxycarbonyl-3,8-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
• 化学式: C₅₅H₈₆O₂₅
• 分子量: 1147.3
• InChiKey: IDOCSOXSHBGSHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  80
• 可旋转键数：
  18
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  405
• 氢给体数：
  13
• 氢受体数：
  25