GD005218

Name:

None

Formula:

C32H23O14N7

Smiles:

C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1O[C@H](n2cnc3ncnc(O)c32)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1

Aglycone:

CCOC(=O)c1ccc([N+](=O)[O-])cc1.O=C(O)c1ccc([N+](=O)[O-])cc1.O=C(O)c1ccc([N+](=O)[O-])cc1.Oc1ncnc2c1[N]C=N2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL3037846

AD04459

Formula: C9H9O4N

Smiles:

CCOC(=O)c1ccc([N+](=O)[O-])cc1

HBA:	5	RingCount:	1
HBD:	0	FractionCSP3:	0.22
AlogP:	1.77	Num_rotatable_bonds:	3
MolWt:	195.17	Num_heavy_atoms:	14
TPSA:	69.44	NumAromaticRings:	1

AD04460

Formula: C7H5O4N

Smiles:

O=C(O)c1ccc([N+](=O)[O-])cc1

HBA:	5	RingCount:	1
HBD:	1	FractionCSP3:	0.0
AlogP:	1.29	Num_rotatable_bonds:	2
MolWt:	167.12	Num_heavy_atoms:	12
TPSA:	80.44	NumAromaticRings:	1

AD04461

Formula: C5H3ON4

Smiles:

Oc1ncnc2c1[N]C=N2

HBA:	5	RingCount:	2
HBD:	1	FractionCSP3:	0.0
AlogP:	0.09	Num_rotatable_bonds:	0
MolWt:	135.11	Num_heavy_atoms:	10
TPSA:	72.47	NumAromaticRings:	1