LigandBoxID:D02523

NAME:Erythromycin acistrate;EA;Erasis
SMILES: CCC2OC(C(C(C(C(C(CC(C(C(C(C2(O)C)O)C)=O)C)(O)C)OC3OC(CC(C3OC(=O)C)N(C)C)C)C)OC1OC(C(C(C1)(OC)C)O)C)C)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D02523

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C39H70NO14 776.982 1 5
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
14 18 -4.1943 -11.5244
LOGS LOGP    
-12.9133 3.5692    

Links to the same SMILES compounds

CHEMBL CHEMBL1908310
PUBCHEM 10033177 10395428 11366259 114919 11766619
11766620 20786769 23232132 23308400 23308401 4630919
5284554 59078493 59078494 60009797 6917914 6917915
71280 71281


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