GD034400

Name:

None

Formula:

C18H23O9N3Br2

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2nnc(CBr)c2CBr)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

BrCC1=C(CBr)N=N[N]1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL3229481

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

AD21877

Formula: C4H4N3Br2

Smiles:

BrCC1=C(CBr)N=N[N]1

HBA:	3	RingCount:	1
HBD:	0	FractionCSP3:	0.5
AlogP:	1.97	Num_rotatable_bonds:	2
MolWt:	253.91	Num_heavy_atoms:	9
TPSA:	38.82	NumAromaticRings:	0