10-[2-[4,5-Dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxycyclohexyl]oxy-11-hydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-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: 10-[2-[4,5-Dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxycyclohexyl]oxy-11-hydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• 英文别名: 10-[2-[4,5-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxycyclohexyl]oxy-11-hydroxy-1,6a,6b,9,9,12a-hexamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• 化学式: C₅₃H₈₄O₂₀
• 分子量: 1041.2
• InChiKey: LYXVQNFZBZVEFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  73
• 可旋转键数：
  10
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  324
• 氢给体数：
  12
• 氢受体数：
  20