GD092801

Name:

None

Formula:

C16H20O10N4

Smiles:

CC(=O)Nc1c([N+](=O)[O-])ncn1[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CC(=O)NC1=C([N+](=O)[O-])N=C[N]1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000004880002

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

AD40362

Formula: C5H5O3N4

Smiles:

CC(=O)NC1=C([N+](=O)[O-])N=C[N]1

HBA:	7	RingCount:	1
HBD:	1	FractionCSP3:	0.2
AlogP:	-0.83	Num_rotatable_bonds:	2
MolWt:	169.12	Num_heavy_atoms:	12
TPSA:	98.7	NumAromaticRings:	0