GD109556

Name:

None

Formula:

C23H23O11N3

Smiles:

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

Aglycone:

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

Sugarmoiety:

COC1OC(O)C(O)C1O

Other Identifiers

• ZINC000004995334

AD01019

Formula: C3H7ON

Smiles:

CNC(C)=O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.67
AlogP:	-0.25	Num_rotatable_bonds:	0
MolWt:	73.09	Num_heavy_atoms:	5
TPSA:	29.1	NumAromaticRings:	0

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