[3,5-Dihydroxy-2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-2-yl]methoxy]oxan-4-yl] 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-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-2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-2-yl]methoxy]oxan-4-yl] 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylate
• 英文别名: [3,5-dihydroxy-2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-2-yl]methoxy]oxan-4-yl] 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylate
• 化学式: C₅₉H₉₈O₂₇
• 分子量: 1239.4
• InChiKey: WLFNVNXHUDPBGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  86
• 可旋转键数：
  14
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  433
• 氢给体数：
  16
• 氢受体数：
  27