2-[4,5-Dihydroxy-2-[[4-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-7-(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-9-yl]oxy]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-[[4-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-7-(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-9-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 英文别名: 2-[4,5-dihydroxy-2-[[4-hydroxy-5a,5b,8,8,11a,13b-hexamethyl-3-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-7-(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-9-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 化学式: C₅₂H₈₈O₂₁
• 分子量: 1049.2
• InChiKey: KKHKBYSVIUUTBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  73
• 可旋转键数：
  10
• 环数：
  9.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  337
• 氢给体数：
  13
• 氢受体数：
  21