Name: Barbaloin-related compound A
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214312822
Cas No:473225-21-7
常用名:Barbaloin-related compound A
IUPAC:(9'S,10S)-1,4',5',8-tetrahydroxy-2',6-bis(hydroxymethyl)-9'-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H,9'H,10H,10'H-[2,9'-bianthracene]-9,10'-dione
IUPAC:(9'S,10S)-1,4',5',8-tetrahydroxy-2',6-bis(hydroxymethyl)-9'-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H,9'H,10H,10'H-[2,9'-bianthracene]-9,10'-dione
InChI key:JHZBKCRKYJMZQA-LIQFIKFQSA-N

分子式:C42H42O18
分子量:834.78
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)[C@H]1c2ccc(c(O)c2C(=O)c2c(O)cc(CO)cc12)[C@]1([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12
SMILES:OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)[C@H]1c2ccc(c(O)c2C(=O)c2c(O)cc(CO)cc12)[C@]1([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cccc(O)c2C(=O)c2c(O)cc(CO)cc12

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