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HIT219599930
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HIT219599930
  • HIT ID:HIT219599930
  • Cas No:99260-65-8
  • 常用名:Saquayamycin A
  • IUPAC:4a,8,12b-trihydroxy-9-{4-hydroxy-6-methyl-5-[(6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl)oxy]oxan-2-yl}-3-methyl-3-({6-methyl-5-[(6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl)oxy]oxan-2-yl}oxy)-1,2,3,4,4a,7,12,12b-octahydrotetraphene-1,7,12-trione
    IUPAC:4a,8,12b-trihydroxy-9-{4-hydroxy-6-methyl-5-[(6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl)oxy]oxan-2-yl}-3-methyl-3-({6-methyl-5-[(6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl)oxy]oxan-2-yl}oxy)-1,2,3,4,4a,7,12,12b-octahydrotetraphene-1,7,12-trione
  • InChI key:PSCPFFPJZFSAMI-UHFFFAOYSA-N
  • 分子式:C43H48O16
  • 分子量:820.841
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC1OC(CCC1OC1OC(C)C(=O)C=C1)OC1(C)CC(=O)C2(O)C3=C(C=CC2(O)C1)C(=O)c1c(O)c(ccc1C3=O)C1CC(O)C(OC2OC(C)C(=O)C=C2)C(C)O1
    SMILES:CC1OC(CCC1OC1OC(C)C(=O)C=C1)OC1(C)CC(=O)C2(O)C3=C(C=CC2(O)C1)C(=O)c1c(O)c(ccc1C3=O)C1CC(O)C(OC2OC(C)C(=O)C=C2)C(C)O1
  • Saquayamycin A 具有抗菌特性,不过对革兰氏阴性菌的效果较弱,然而却能够抑制白血病 P388 细胞及阿霉素耐药 P388 细胞的生长。
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    TargetMolSC
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