GD108827

Name:

None

Formula:

C28H28O12N4

Smiles:

CC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=N\Nc3ccc([N+](=O)[O-])cc3)c3ccccc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1Nc2ccccc2C1=NNc1ccc([N+](=O)[O-])cc1

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000245231258

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

AD44493

Formula: C14H10O3N4

Smiles:

O=C1Nc2ccccc2C1=NNc1ccc([N+](=O)[O-])cc1

HBA:	7	RingCount:	3
HBD:	2	FractionCSP3:	0.0
AlogP:	2.36	Num_rotatable_bonds:	3
MolWt:	282.26	Num_heavy_atoms:	21
TPSA:	96.63	NumAromaticRings:	2