15-[2,4-Dihydroxy-3-methoxy-5-(3-methylbutoxy)phenyl]-9-(2-hydroxyethoxy)-31-(hydroxymethyl)-25-pyrrol-1-id-3-ylspiro[35-oxa-19,20,28,29-tetrathiaoctacyclo[21.8.2.18,31.111,15.02,7.013,18.021,26.012,34]pentatriaconta-2(7),3,5,8,10,12(34),25-heptaene-27,1'-cyclohexane]-4,14-diol

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 15-[2,4-Dihydroxy-3-methoxy-5-(3-methylbutoxy)phenyl]-9-(2-hydroxyethoxy)-31-(hydroxymethyl)-25-pyrrol-1-id-3-ylspiro[35-oxa-19,20,28,29-tetrathiaoctacyclo[21.8.2.18,31.111,15.02,7.013,18.021,26.012,34]pentatriaconta-2(7),3,5,8,10,12(34),25-heptaene-27,1'-cyclohexane]-4,14-diol
• 英文别名: 15-[2,4-dihydroxy-3-methoxy-5-(3-methylbutoxy)phenyl]-9-(2-hydroxyethoxy)-31-(hydroxymethyl)-25-pyrrol-1-id-3-ylspiro[35-oxa-19,20,28,29-tetrathiaoctacyclo[21.8.2.18,31.111,15.02,7.013,18.021,26.012,34]pentatriaconta-2(7),3,5,8,10,12(34),25-heptaene-27,1'-cyclohexane]-4,14-diol
• 化学式: C54H64NO10S4-
• 分子量: 1015.4
• InChiKey: MLKNXFSNVXNTBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  69
• 可旋转键数：
  11
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  261
• 氢给体数：
  6
• 氢受体数：
  15