GD106530

Name:

None

Formula:

C18H21O9N4Br

Smiles:

CC(=O)OC[C@@H]1O[C@@H](n2c(Br)nc3c2c(=O)n(C)c(=O)n3C)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.Cn1c2c(c(=O)n(C)c1=O)[N]C(Br)=N2

Sugarmoiety:

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

Other Identifiers

• ZINC000005763090

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

AD10492

Formula: C7H6O2N4Br

Smiles:

Cn1c2c(c(=O)n(C)c1=O)[N]C(Br)=N2

HBA:	6	RingCount:	2
HBD:	0	FractionCSP3:	0.29
AlogP:	-0.28	Num_rotatable_bonds:	0
MolWt:	258.05	Num_heavy_atoms:	14
TPSA:	70.46	NumAromaticRings:	1