Name: Pluraflavin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619225
Cas No:355840-22-1
常用名:Pluraflavin A
IUPAC:5-({[(2R,4S,5R,6R)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-10-[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-7,12-dihydro-4H-1-oxatetraphene-4,7,12-trione
IUPAC:5-({[(2R,4S,5R,6R)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}methyl)-10-[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]-2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-7,12-dihydro-4H-1-oxatetraphene-4,7,12-trione
InChI key:InChIKey=OHQJVUUBNSMDMH-VZEJTRRXSA-N

分子式:C43H54N2O14
分子量:822.905
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC1OC1(C)c1cc(=O)c2c(CO[C@H]3C[C@](C)(N)[C@@H](O)[C@@H](C)O3)cc3C(=O)c4ccc([C@H]5C[C@@H]([C@H](O[C@H]6C[C@H](O)[C@H](O)[C@H](C)O6)[C@H](C)O5)N(C)C)c(O)c4C(=O)c3c2o1
SMILES:CC1OC1(C)c1cc(=O)c2c(CO[C@H]3C[C@](C)(N)[C@@H](O)[C@@H](C)O3)cc3C(=O)c4ccc([C@H]5C[C@@H]([C@H](O[C@H]6C[C@H](O)[C@H](O)[C@H](C)O6)[C@H](C)O5)N(C)C)c(O)c4C(=O)c3c2o1

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