(1R,3S,11S,12S,13R,15S,16R,17S,23R,33S,34R,35S,36S,37R,39S,40S,41S)-3,13,15,25,35,37,39-heptahydroxy-11-[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-41-methoxy-33-[(2S)-4-[(4R,6S)-4-methoxy-6-methyloxan-2-yl]butan-2-yl]-6,12,16,28,34,36,40-heptamethyl-9,31-dioxo-10,32,47,48-tetraoxatricyclo[41.3.1.119,23]octatetraconta-5,7,21,27,29,45-hexaene-17-carbaldehyde

• 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: (1R,3S,11S,12S,13R,15S,16R,17S,23R,33S,34R,35S,36S,37R,39S,40S,41S)-3,13,15,25,35,37,39-heptahydroxy-11-[(2S,3S,4S)-3-hydroxy-6-[(2S,4R,6S)-4-methoxy-6-methyloxan-2-yl]-4-methylhexan-2-yl]-41-methoxy-33-[(2S)-4-[(4R,6S)-4-methoxy-6-methyloxan-2-yl]butan-2-yl]-6,12,16,28,34,36,40-heptamethyl-9,31-dioxo-10,32,47,48-tetraoxatricyclo[41.3.1.119,23]octatetraconta-5,7,21,27,29,45-hexaene-17-carbaldehyde
• 化学式: C₇₈H₁₃₀O₂₀
• 分子量: 1387.9
• InChiKey: VTJAEZNGGVXPOR-YHFZAGBXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  98
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  296
• 氢给体数：
  8
• 氢受体数：
  20