GD027290

Name:

None

Formula:

C39H27O14N6Cl

Smiles:

COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)c4ccc([N+](=O)[O-])cc4)[C@H](OC(=O)c4ccc([N+](=O)[O-])cc4)[C@H]3OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2c1

Aglycone:

COC(=O)c1ccc([N+](=O)[O-])cc1.COc1ccc2nc3c(c(Cl)c2c1)C(C)=N[N]3.O=C(O)c1ccc([N+](=O)[O-])cc1.O=C(O)c1ccc([N+](=O)[O-])cc1

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL61932

AD02162

Formula: C13H9ON3Cl

Smiles:

COc1ccc2nc3c(c(Cl)c2c1)C(C)=N[N]3

HBA:	4	RingCount:	3
HBD:	0	FractionCSP3:	0.17
AlogP:	2.87	Num_rotatable_bonds:	1
MolWt:	246.68	Num_heavy_atoms:	17
TPSA:	48.58	NumAromaticRings:	2

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

AD16164

Formula: C8H7O4N

Smiles:

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

HBA:	5	RingCount:	1
HBD:	0	FractionCSP3:	0.12
AlogP:	1.38	Num_rotatable_bonds:	2
MolWt:	181.15	Num_heavy_atoms:	13
TPSA:	69.44	NumAromaticRings:	1