GD010096

Name:

None

Formula:

C22H26O11N4S

Smiles:

CC(=O)OC[C@@H]1O[C@H](NC(=S)NN=Cc2cccc([N+](=O)[O-])c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.NC(=S)NN=Cc1cccc([N+](=O)[O-])c1

Sugarmoiety:

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

Other Identifiers

• CHEMBL2324826

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

AD07844

Formula: C8H8O2N4S

Smiles:

NC(=S)NN=Cc1cccc([N+](=O)[O-])c1

HBA:	6	RingCount:	1
HBD:	3	FractionCSP3:	0.0
AlogP:	0.76	Num_rotatable_bonds:	3
MolWt:	224.25	Num_heavy_atoms:	15
TPSA:	93.55	NumAromaticRings:	1