2-[4-[9-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-1,11a,13a-trimethyl-3a,4,5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13b-hexadecahydrophenanthro[2,1-e][1]benzofuran-2-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

• 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: 2-[4-[9-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-1,11a,13a-trimethyl-3a,4,5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13b-hexadecahydrophenanthro[2,1-e][1]benzofuran-2-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• 英文别名: 2-[4-[9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10-hydroxy-1,11a,13a-trimethyl-3a,4,5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13b-hexadecahydrophenanthro[2,1-e][1]benzofuran-2-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• 化学式: C₄₆H₇₆O₁₉
• 分子量: 933.1
• InChiKey: LEAXHQVXQIEQEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  65
• 可旋转键数：
  13
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  307
• 氢给体数：
  12
• 氢受体数：
  19