GD015521

Name:

None

Formula:

C27H27O11N4Br

Smiles:

CC(=O)OC[C@@H]1OC(n2cc(CNC3=C(Br)C(=O)c4ccccc4C3=O)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1C(Br)=C(NCC2=C[N]N=N2)C(=O)c2ccccc21

Sugarmoiety:

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

Other Identifiers

• CHEMBL3114580

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

AD11265

Formula: C13H8O2N4Br

Smiles:

O=C1C(Br)=C(NCC2=C[N]N=N2)C(=O)c2ccccc21

HBA:	6	RingCount:	3
HBD:	1	FractionCSP3:	0.08
AlogP:	2.09	Num_rotatable_bonds:	3
MolWt:	332.14	Num_heavy_atoms:	20
TPSA:	84.99	NumAromaticRings:	1