Olean-12-ene-23,28-dioic acid, 2,3-dihydroxy-, 28-(O-6-deoxy-alpha-L-mannopyranosyl-(1-->4)-O-beta-D-glucopyranosyl-(1-->6)-O-[beta-D-glucopyranosyl-(1-->2)]-beta-D-glucopyranosyl) ester, (2beta,3beta,4alpha)- | 177263-83-1

• 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: Olean-12-ene-23,28-dioic acid, 2,3-dihydroxy-, 28-(O-6-deoxy-alpha-L-mannopyranosyl-(1-->4)-O-beta-D-glucopyranosyl-(1-->6)-O-[beta-D-glucopyranosyl-(1-->2)]-beta-D-glucopyranosyl) ester, (2beta,3beta,4alpha)-
• 英文别名: (2S,3R,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxycarbonyl-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
• CAS: 177263-83-1
• 化学式: C₅₄H₈₆O₂₅
• 分子量: 1135.2
• InChiKey: HKORKKGSNOYFJC-CZDITLNNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  79
• 可旋转键数：
  13
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  411
• 氢给体数：
  15
• 氢受体数：
  25