[3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl] 3',4',5',10,11,17',18',19'-octahydroxy-1,2,6a,6b,12a-pentamethyl-8',14'-dioxospiro[2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-9,11'-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene]-4a-carboxylate

• 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: [3,5-dihydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl] 3',4',5',10,11,17',18',19'-octahydroxy-1,2,6a,6b,12a-pentamethyl-8',14'-dioxospiro[2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-9,11'-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene]-4a-carboxylate
• 化学式: C₅₇H₆₈O₂₃
• 分子量: 1121.1
• InChiKey: FFGNIMCPZILRDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  80
• 可旋转键数：
  7
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  398
• 氢给体数：
  14
• 氢受体数：
  23