GD107443

Name:

None

Formula:

C20H24O13N4

Smiles:

CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](NNc2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.NNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

Sugarmoiety:

CC(=O)OC1OC(O)C(OC(C)=O)C(O)C1OC(C)=O

Other Identifiers

• ZINC000104252350

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD44314

Formula: C6H6O4N4

Smiles:

NNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

HBA:	8	RingCount:	1
HBD:	3	FractionCSP3:	0.0
AlogP:	0.79	Num_rotatable_bonds:	3
MolWt:	198.14	Num_heavy_atoms:	14
TPSA:	124.33	NumAromaticRings:	1