2-[4,5-Dihydroxy-6-[2-[4-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-9-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-yloxy]-2-(hydroxymethyl)oxan-3-yl]oxy-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-[4,5-Dihydroxy-6-[2-[4-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-9-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-yloxy]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• 英文别名: 2-[4,5-dihydroxy-6-[2-[4-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-9-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-yloxy]-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• 化学式: C₄₇H₈₀O₁₇
• 分子量: 917.1
• InChiKey: DETMLMKPOGLPGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  64
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  278
• 氢给体数：
  11
• 氢受体数：
  17