GD027872

Name:

None

Formula:

C42H49O14N7

Smiles:

CC(=O)NC(C=O)C(O[C@H](C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc1ccccc1)C(O)C(O)COC(=O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12

Aglycone:

CCC(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc1ccccc1.O=CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12

Sugarmoiety:

CC(=O)NC(C=O)C(OO)C(O)C(O)COO

Other Identifiers

• CHEMBL1995973

AD04332

Formula: C18H25O5N3

Smiles:

CCC(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc1ccccc1

HBA:	8	RingCount:	1
HBD:	4	FractionCSP3:	0.44
AlogP:	0.39	Num_rotatable_bonds:	10
MolWt:	363.41	Num_heavy_atoms:	26
TPSA:	127.59	NumAromaticRings:	1

AD18274

Formula: C16H13O3N3

Smiles:

O=CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12

HBA:	6	RingCount:	3
HBD:	1	FractionCSP3:	0.12
AlogP:	3.3	Num_rotatable_bonds:	5
MolWt:	295.3	Num_heavy_atoms:	22
TPSA:	85.13	NumAromaticRings:	3