GD077244

Name:

None

Formula:

C15H16O9N4

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cnc([N+](=O)[O-])c2C#N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.N#CC1=C([N+](=O)[O-])N=C[N]1

Sugarmoiety:

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

Other Identifiers

• ZINC000013284777

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

AD35470

Formula: C4HO2N4

Smiles:

N#CC1=C([N+](=O)[O-])N=C[N]1

HBA:	6	RingCount:	1
HBD:	0	FractionCSP3:	0.0
AlogP:	-0.4	Num_rotatable_bonds:	1
MolWt:	137.08	Num_heavy_atoms:	10
TPSA:	93.39	NumAromaticRings:	0