GD103542

Name:

None

Formula:

C14H16O9N3Br

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cnc(Br)c2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.O=[N+]([O-])C1=C(Br)N=C[N]1

Sugarmoiety:

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

Other Identifiers

• ZINC000013284877

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

AD43827

Formula: C3HO2N3Br

Smiles:

O=[N+]([O-])C1=C(Br)N=C[N]1

HBA:	5	RingCount:	1
HBD:	0	FractionCSP3:	0.0
AlogP:	0.43	Num_rotatable_bonds:	1
MolWt:	190.96	Num_heavy_atoms:	9
TPSA:	69.6	NumAromaticRings:	0