GD100334

Name:

None

Formula:

C18H21O9N5S

Smiles:

C=CS(=O)(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

C=CS(=O)(=O)Nc1ncnc2c1N=C[N]2.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC001198573129

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

AD30421

Formula: C7H6O2N5S

Smiles:

C=CS(=O)(=O)Nc1ncnc2c1N=C[N]2

HBA:	7	RingCount:	2
HBD:	1	FractionCSP3:	0.0
AlogP:	0.27	Num_rotatable_bonds:	3
MolWt:	224.22	Num_heavy_atoms:	15
TPSA:	98.41	NumAromaticRings:	1