Name: Desertomycin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320925
Cas No:121820-50-6
常用名:Desertomycin A
IUPAC:(3E,7S,8R,9S,10S,13E,15S,16S,17E,19S,20R,21E,23S,24R,26S,28S,30S,31S,32R,33S,34R,36S,38S,39E,42S)-42-[(2R,3R)-6-amino-3-hydroxyhexan-2-yl]-8,10,16,20,24,26,28,30,32,34,36,38-dodecahydroxy-3,7,9,15,19,21,31,33-octamethyl-23-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one
IUPAC:(3E,7S,8R,9S,10S,13E,15S,16S,17E,19S,20R,21E,23S,24R,26S,28S,30S,31S,32R,33S,34R,36S,38S,39E,42S)-42-[(2R,3R)-6-amino-3-hydroxyhexan-2-yl]-8,10,16,20,24,26,28,30,32,34,36,38-dodecahydroxy-3,7,9,15,19,21,31,33-octamethyl-23-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1-oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one
InChI key:FKPDQSQJNFFSAS-MICPFQQXSA-N

分子式:C61H109NO21
分子量:1192.529
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(C\C=C\[C@@H](O)C[C@H](O)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)\C=C(C)\[C@H](O)[C@@H](C)\C=C\[C@H](O)[C@@H](C)\C=C\CC[C@H](O)[C@H](C)[C@H](O)[C@@H](C)CC\C=C(C)\C(=O)O1)[C@H](C)[C@H](O)CCCN |c:44,71,t:3,51,57|
SMILES:[H][C@]1(C\C=C\[C@@H](O)C[C@H](O)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)C[C@@H](O)C[C@H](O)C[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)\C=C(C)\[C@H](O)[C@@H](C)\C=C\[C@H](O)[C@@H](C)\C=C\CC[C@H](O)[C@H](C)[C@H](O)[C@@H](C)CC\C=C(C)\C(=O)O1)[C@H](C)[C@H](O)CCCN |c:44,71,t:3,51,57|

Desertomycin A is fungal metabolite and the major component of the desertomycin antibiotic complex that has been found in S. flavofungini.

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