GD109357

Name:

None

Formula:

C23H25O7N5S

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2cnc3c(Sc4ccc(C)cc4)nc(N)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.Cc1ccc(Sc2nc(N)nc3c2N=C[N]3)cc1

Sugarmoiety:

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

Other Identifiers

• ZINC000065734259

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

AD44540

Formula: C12H10N5S

Smiles:

Cc1ccc(Sc2nc(N)nc3c2N=C[N]3)cc1

HBA:	5	RingCount:	3
HBD:	2	FractionCSP3:	0.08
AlogP:	2.43	Num_rotatable_bonds:	2
MolWt:	256.31	Num_heavy_atoms:	18
TPSA:	78.26	NumAromaticRings:	2