LigandBoxID:D01322

NAME:Triacetyloleandomycin;Troleandomycin;TAO;Tao
SMILES: COC2CC(OC3C(C(OC(C(C(C(C(C1(CC(C(C3C)OC4OC(CC(C4OC(=O)C)N(C)C)C)C)CO1)=O)C)OC(=O)C)C)C)=O)C)OC(C2OC(=O)C)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

KEGG_DRUG
D01322

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C41H68NO15 814.987 1 1
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
15 18 -4.1395 -12.4766
LOGS LOGP    
$$$$ 2.7388    

Links to the same SMILES compounds

LIGANDBOX C12753 PDB_TAO
CHEMBL CHEMBL1404947 CHEMBL1610778 CHEMBL564085
PUBCHEM 16126826 16757792 17675 202225 22525314
23847183 25089409 418931 44348866 45270772 5284630
5289436 54691494 54693041 57077829 6604456 6708521
6713914


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