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60218-13-5,MFCD11978019
Catalog No.:AA00EFBR

60218-13-5 | 3-Methylflavone-8-carboxylic Acid Acyl--D-glucuronide

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Technical Information
Catalog Number:
AA00EFBR
Chemical Name:
3-Methylflavone-8-carboxylic Acid Acyl--D-glucuronide
CAS Number:
60218-13-5
Molecular Formula:
C23H20O10
Molecular Weight:
456.3989
MDL Number:
MFCD11978019
SMILES:
OC(=O)[C@H]1O[C@@H](OC(=O)c2cccc3c2oc(c2ccccc2)c(c3=O)C)[C@@H]([C@H]([C@@H]1O)O)O
Properties
Computed Properties
 
Complexity:
816  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
5  
XLogP3:
1.5  

Literature
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SDS
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Tags:60218-13-5 Molecular Formula|60218-13-5 MDL|60218-13-5 SMILES|60218-13-5 3-Methylflavone-8-carboxylic Acid Acyl--D-glucuronide