(2S,3R,4R,6R)-6-[(2S,3R,4S,5R,6S)-6-carboxy-4,5-dihydroxy-2-[[(1R,2R,5S,6R,9R,10S,11S,14R,15R,19R,21R)-10-(hydroxymethyl)-2,5,6,10,14,21-hexamethyl-22-oxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-yl]oxy]oxan-3-yl]oxy-3,4-dihydroxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-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: (2S,3R,4R,6R)-6-[(2S,3R,4S,5R,6S)-6-carboxy-4,5-dihydroxy-2-[[(1R,2R,5S,6R,9R,10S,11S,14R,15R,19R,21R)-10-(hydroxymethyl)-2,5,6,10,14,21-hexamethyl-22-oxo-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-11-yl]oxy]oxan-3-yl]oxy-3,4-dihydroxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
• 化学式: C₄₈H₇₂O₂₀
• 分子量: 969.1
• InChiKey: LETKHXJYAHBXPX-BTXNSZRYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  68
• 可旋转键数：
  9
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  318
• 氢给体数：
  10
• 氢受体数：
  20