methyl N-[(1R,8S,12S)-12-[(2S,4R,5R,6S)-4-[2-[4,5-dimethoxy-2-(2-methoxyprop-2-enoylamino)phenyl]-2-oxoethyl]-5-hydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-8-[(2R,3R,4S,5S,6R)-4-hydroxy-5-[[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-methylsulfanyloxan-2-yl]oxyamino]-3-[(2S,4S,5S)-4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-4,9-dien-2,6-diynyl]carbamate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl N-[(1R,8S,12S)-12-[(2S,4R,5R,6S)-4-[2-[4,5-dimethoxy-2-(2-methoxyprop-2-enoylamino)phenyl]-2-oxoethyl]-5-hydroxy-6-methyloxan-2-yl]oxy-1-hydroxy-8-[(2R,3R,4S,5S,6R)-4-hydroxy-5-[[(2S,4S,5S,6R)-4-hydroxy-6-methyl-5-methylsulfanyloxan-2-yl]oxyamino]-3-[(2S,4S,5S)-4-methoxy-5-(propan-2-ylamino)oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxo-10-bicyclo[7.3.1]trideca-4,9-dien-2,6-diynyl]carbamate
• 化学式: C₆₀H₈₂N₄O₂₁S₄
• 分子量: 1323.6
• InChiKey: SLQGPHTVYUKURN-KMMJFPFJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  89
• 可旋转键数：
  27
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  419
• 氢给体数：
  8
• 氢受体数：
  27