LigandBoxID:D10034

SMILES: O=CCC2CC(C(C=CC(=CC(C(OC(CC(C(C2OC3OC(C(C(C3O)N(C)C)OC1OC(C(C(C1)(O)C)OC(CC(C)C)=O)C)C)C)OC(=O)C)=O)CC)COC4OC(C(C(C4OC)OC)O)C)C)=O)C

2D 3D

select 3D conformers:
SDF file MOL2 file

Suppliers' compound IDs

KEGG_DRUG
D10034

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C53H88NO19 1043.275 1 4
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
19 21 -3.6488 -10.7754
LOGS LOGP    
-7.3289 -1.3352    

Links to the same SMILES compounds

LIGANDBOX D10032
PUBCHEM 56840638 56928189 56928191 57358381 6441094


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