(2S,3R,4S,5R,6S)-2-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxane-3,4,5-triol;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (3S,5S,6aR,6aS,6bR,8aR,10S,12aR)-10-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-9-(hydroxymethyl)-3-[(2E,6S)-6-[(2S,3R,4R,5S)-3-hydroxy-5-(3-methylbutanoyloxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

• 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: (2S,3R,4S,5R,6S)-2-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxane-3,4,5-triol;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl] (3S,5S,6aR,6aS,6bR,8aR,10S,12aR)-10-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-9-(hydroxymethyl)-3-[(2E,6S)-6-[(2S,3R,4R,5S)-3-hydroxy-5-(3-methylbutanoyloxy)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6-dimethylocta-2,7-dienoyl]oxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
• 化学式: C100H162O53
• 分子量: 2212.3
• InChiKey: HCTAHESAMZEUTR-AAEGTXEYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -10.16
• 重原子数：
  153
• 可旋转键数：
  34
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  832
• 氢给体数：
  29
• 氢受体数：
  53