Polyketomycin | CAS 200625-47-4

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HIT ID:HIT212666553
Cas No:200625-47-4
常用名:Polyketomycin
IUPAC:(2S,3R,4R,6S)-6-{[(2R,3S,6S)-6-{[(1S,3E,4aS,12aR)-4a,6,12a-trihydroxy-3-(1-hydroxyethylidene)-9-methoxy-11-methyl-2,4,5,7,10-pentaoxo-1,2,3,4,4a,5,7,10,12,12a-decahydrotetracen-1-yl]oxy}-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 2-hydroxy-3,6-dimethylbenzoate
IUPAC:(2S,3R,4R,6S)-6-{[(2R,3S,6S)-6-{[(1S,3E,4aS,12aR)-4a,6,12a-trihydroxy-3-(1-hydroxyethylidene)-9-methoxy-11-methyl-2,4,5,7,10-pentaoxo-1,2,3,4,4a,5,7,10,12,12a-decahydrotetracen-1-yl]oxy}-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 2-hydroxy-3,6-dimethylbenzoate
InChI key:OWRCRVABZYJUES-FLJLGRLJSA-N

分子式:C44H48O18
分子量:864.85
氢键供体数 (HBD):6
氢键受体数 (HBA):17
LogP:5.6614704
SMILES:[H][C@@]1(CC[C@H](O[C@@]2([H])C[C@@](C)(O)[C@H](OC(=O)c3c(C)ccc(C)c3O)[C@H](C)O2)[C@@H](C)O1)O[C@@H]1C(=O)\C(=C(\C)O)C(=O)[C@@]2(O)C(=O)c3c(O)c4C(=O)C=C(OC)C(=O)c4c(C)c3C[C@@]12O |t:54|
SMILES:[H][C@@]1(CC[C@H](O[C@@]2([H])C[C@@](C)(O)[C@H](OC(=O)c3c(C)ccc(C)c3O)[C@H](C)O2)[C@@H](C)O1)O[C@@H]1C(=O)\C(=C(\C)O)C(=O)[C@@]2(O)C(=O)c3c(O)c4C(=O)C=C(OC)C(=O)c4c(C)c3C[C@@]12O |t:54|

Polyketomycin is a tetracyclic quinone glycoside antibiotic isolated from Streptomyces sp. or Streptomyces diastatochromogenes, has antibacterial, anticancer, antimalarial activities.

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