(2S,3S,4S,6R)-6-{8-[(2R,4R,5S,6R)-4-(dimethylammonio)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-2-[(2S,2'R,3R,3'S)-3,3'-dimethyl-2,2'-bioxir-3-yl]-11-hydroxy-5-methyl-4,7,12-trioxo-7,12-dihydro-4H-naphtho[2,3-h]chromen-10-yl}-3-hydroxy-N,N,2,4-tetramethyltetrahydro-2H-pyran-4-aminium (non-preferred name)

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: (2S,3S,4S,6R)-6-{8-[(2R,4R,5S,6R)-4-(dimethylammonio)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]-2-[(2S,2'R,3R,3'S)-3,3'-dimethyl-2,2'-bioxir-3-yl]-11-hydroxy-5-methyl-4,7,12-trioxo-7,12-dihydro-4H-naphtho[2,3-h]chromen-10-yl}-3-hydroxy-N,N,2,4-tetramethyltetrahydro-2H-pyran-4-aminium (non-preferred name)
• 英文别名: [(2R,3S,4R,6R)-6-[10-[(2R,4S,5S,6S)-4-(dimethylazaniumyl)-5-hydroxy-4,6-dimethyloxan-2-yl]-11-hydroxy-5-methyl-2-[(2R,3S)-2-methyl-3-[(2R,3S)-3-methyloxiran-2-yl]oxiran-2-yl]-4,7,12-trioxonaphtho[7,6-h]chromen-8-yl]-3-hydroxy-2-methyloxan-4-yl]-dimethylazanium
• 化学式: C41H52N2O11+2
• 分子量: 748.9
• InChiKey: RZOFHOWMWMTHDX-KCOMYAKUSA-P

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  54
• 可旋转键数：
  6
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  174
• 氢给体数：
  5
• 氢受体数：
  11