6-[[8a-[3-[4,5-Bis[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy]-3-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-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-[[8a-[3-[4,5-Bis[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy]-3-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• 英文别名: 6-[[8a-[3-[4,5-bis[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy]-3-hydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,9,10,12,12a,14,14a-dodecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
• 化学式: C₅₇H₈₈O₂₅
• 分子量: 1173.3
• InChiKey: BQPAYARYCXZJTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  82
• 可旋转键数：
  14
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  389
• 氢给体数：
  13
• 氢受体数：
  25