GD095857

Name:

None

Formula:

C17H21O9N5S

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2c(S(C)(=O)=O)nc3c(N)ncnc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.CS(=O)(=O)C1=Nc2c(N)ncnc2[N]1

Sugarmoiety:

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

Other Identifiers

• ZINC000012524396

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

AD40828

Formula: C6H6O2N5S

Smiles:

CS(=O)(=O)C1=Nc2c(N)ncnc2[N]1

HBA:	7	RingCount:	2
HBD:	2	FractionCSP3:	0.17
AlogP:	-0.66	Num_rotatable_bonds:	0
MolWt:	212.21	Num_heavy_atoms:	14
TPSA:	112.4	NumAromaticRings:	1