2-[4,5-Dihydroxy-2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[[9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]oxy]oxan-2-yl]methoxy]oxan-3-yl]oxy-6-methyloxane-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-2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[[9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]oxy]oxan-2-yl]methoxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 英文别名: 2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[[9-hydroxy-8-(hydroxymethyl)-5a,5b,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl]oxy]oxan-2-yl]methoxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 化学式: C₄₇H₇₈O₁₇
• 分子量: 915.1
• InChiKey: SJGFQPRWSVGQJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  64
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  278
• 氢给体数：
  11
• 氢受体数：
  17