[4-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-3-[(1R)-3-[1,3-dihydroxypropan-2-yl(prop-2-enoxycarbonyl)amino]-1-hydroxypropyl]-18-[[4-[5-[4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]phenyl]-1,3,4-thiadiazol-2-yl]benzoyl]amino]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-(trihydroxy-lambda4-sulfanyl)oxyphenyl] prop-2-enyl carbonate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [4-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-3-[(1R)-3-[1,3-dihydroxypropan-2-yl(prop-2-enoxycarbonyl)amino]-1-hydroxypropyl]-18-[[4-[5-[4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]phenyl]-1,3,4-thiadiazol-2-yl]benzoyl]amino]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-(trihydroxy-lambda4-sulfanyl)oxyphenyl] prop-2-enyl carbonate
• 英文别名: [4-[(2R)-2-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-3-[(1R)-3-[1,3-dihydroxypropan-2-yl(prop-2-enoxycarbonyl)amino]-1-hydroxypropyl]-18-[[4-[5-[4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]phenyl]-1,3,4-thiadiazol-2-yl]benzoyl]amino]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-2-hydroxyethyl]-2-(trihydroxy-λ4-sulfanyl)oxyphenyl] prop-2-enyl carbonate
• 化学式: C₇₃H₉₃N₁₁O₂₅S₂
• 分子量: 1588.7
• InChiKey: SSJNNPBLQVXJMD-UDCFNNIPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  111
• 可旋转键数：
  27
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  550
• 氢给体数：
  16
• 氢受体数：
  30