(1S,4R,6S)-7-[(2S,4S,5R)-5-[(2R,5S)-6-carboxy-5-[(2S,5S)-5-methoxy-3,4-dimethyl-6-(sulfooxymethyl)oxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-5,7-dimethyl-4-[(3R,6R)-6-methyl-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-oxabicyclo[4.1.0]heptane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (1S,4R,6S)-7-[(2S,4S,5R)-5-[(2R,5S)-6-carboxy-5-[(2S,5S)-5-methoxy-3,4-dimethyl-6-(sulfooxymethyl)oxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-5,7-dimethyl-4-[(3R,6R)-6-methyl-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3-oxabicyclo[4.1.0]heptane-2-carboxylic acid
• 化学式: C₃₉H₆₄O₄₂S₇
• 分子量: 1429.4
• InChiKey: ZLCLKHUDHWDOCT-XZMBVBHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.3
• 重原子数：
  88
• 可旋转键数：
  28
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  671
• 氢给体数：
  9
• 氢受体数：
  42