[(2S,3R,6S)-6-[(2R,3S,4S,6R)-6-[5,7-dihydroxy-4,6-dimethyl-8-[(19E)-3,5,7,11,22,24,28,32,34,35,36-undecahydroxy-15,21,31-trimethyl-18,33-dioxo-13,17,38-trioxatricyclo[32.3.1.012,14]octatriacont-19-en-16-yl]nonan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl]oxy-2-methyloxan-3-yl] 3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: [(2S,3R,6S)-6-[(2R,3S,4S,6R)-6-[5,7-dihydroxy-4,6-dimethyl-8-[(19E)-3,5,7,11,22,24,28,32,34,35,36-undecahydroxy-15,21,31-trimethyl-18,33-dioxo-13,17,38-trioxatricyclo[32.3.1.012,14]octatriacont-19-en-16-yl]nonan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl]oxy-2-methyloxan-3-yl] 3-hydroxy-2-methyl-3-(6-methyl-5,8-dioxonaphthalen-2-yl)propanoate
• 化学式: C₇₇H₁₂₂O₂₈
• 分子量: 1495.8
• InChiKey: FEQOXSQEYWVXDK-HGDQSJDSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  105
• 可旋转键数：
  16
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  466
• 氢给体数：
  15
• 氢受体数：
  28