Name: Desertomycin B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600677
Cas No:143629-44-1
常用名:Desertomycin B
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)-8,10,16,20,24,26,28,30,32,34,36,38-dodecahydroxy-42-[(1R)-1-[(2R)-5-hydroxyoxolan-2-yl]ethyl]-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)-8,10,16,20,24,26,28,30,32,34,36,38-dodecahydroxy-42-[(1R)-1-[(2R)-5-hydroxyoxolan-2-yl]ethyl]-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:ZQGMDHCZCLGAKC-BMCMZXJHSA-N

分子式:C61H106O22
分子量:1191.497
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(CCC(O)O1)[C@@H](C)[C@]1([H])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
SMILES:[H][C@@]1(CCC(O)O1)[C@@H](C)[C@]1([H])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

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