GD023218

Name:

None

Formula:

C23H24O12N5SBr

Smiles:

CC(=O)OC[C@@H]1O[C@H](NC(=S)NN=C2C(=O)Nc3c2cc(Br)cc3[N+](=O)[O-])[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.NC(=S)NN=C1C(=O)Nc2c1cc(Br)cc2[N+](=O)[O-]

Sugarmoiety:

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

Other Identifiers

• CHEMBL3968006

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

AD15639

Formula: C9H6O3N5SBr

Smiles:

NC(=S)NN=C1C(=O)Nc2c1cc(Br)cc2[N+](=O)[O-]

HBA:	8	RingCount:	2
HBD:	4	FractionCSP3:	0.0
AlogP:	0.85	Num_rotatable_bonds:	2
MolWt:	344.15	Num_heavy_atoms:	19
TPSA:	122.65	NumAromaticRings:	1