(4aS,6aS,6bR,10S,12aR,14bS)-10-[(3R,4R,5S,6R)-3-acetamido-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a,14b-octamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-1H-picene-4a-carboxylic acid

• 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: (4aS,6aS,6bR,10S,12aR,14bS)-10-[(3R,4R,5S,6R)-3-acetamido-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a,14b-octamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-1H-picene-4a-carboxylic acid
• 英文别名: (4aS,6aS,6bR,10S,12aR,14bS)-10-[(3R,4R,5S,6R)-3-acetamido-6-[[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a,14b-octamethyl-3,4,5,6,6a,7,8,8a,10,11,12,13-dodecahydro-1H-picene-4a-carboxylic acid
• 化学式: C₄₉H₇₉NO₁₆
• 分子量: 938.1
• InChiKey: QVBYMMJEQYZTNN-GFLSITEFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  66
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  263
• 氢给体数：
  9
• 氢受体数：
  16