Name: A 201A
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT214318204
Cas No:37305-78-5
常用名:A 201A
别名:Antibiotic 201A, A-201A, A201A
IUPAC:(2E)-3-(4-{[(2R,3S,4S,5Z)-3,4-dihydroxy-5-(2-{[(2S,3S,4R,5R,6R)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-1-methoxyethylidene)oxolan-2-yl]oxy}phenyl)-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-methylprop-2-enamide
IUPAC:(2E)-3-(4-{[(2R,3S,4S,5Z)-3,4-dihydroxy-5-(2-{[(2S,3S,4R,5R,6R)-3-hydroxy-4,5-dimethoxy-6-methyloxan-2-yl]oxy}-1-methoxyethylidene)oxolan-2-yl]oxy}phenyl)-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-methylprop-2-enamide
InChI key:HELPZWNRUYNCJQ-WYPDLKSPSA-N

分子式:C37H50N6O14
分子量:802.835
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CO[C@@H]1[C@@H](C)O[C@H](OC\C(OC)=C2\O[C@@H](Oc3ccc(\C=C(/C)C(=O)N[C@@H]4[C@@H](CO)O[C@H]([C@@H]4O)n4cnc5c(ncnc45)N(C)C)cc3)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H]1OC
SMILES:CO[C@@H]1[C@@H](C)O[C@H](OC\C(OC)=C2\O[C@@H](Oc3ccc(\C=C(/C)C(=O)N[C@@H]4[C@@H](CO)O[C@H]([C@@H]4O)n4cnc5c(ncnc45)N(C)C)cc3)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H]1OC

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