GD107286

Name:

None

Formula:

C23H24O10N4S

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2cnc3c(=O)n(S(=O)(=O)c4ccc(C)cc4)cnc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.Cc1ccc(S(=O)(=O)n2cnc3c(c2=O)N=C[N]3)cc1

Sugarmoiety:

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

Other Identifiers

• ZINC000005030561

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

AD44293

Formula: C12H9O3N4S

Smiles:

Cc1ccc(S(=O)(=O)n2cnc3c(c2=O)N=C[N]3)cc1

HBA:	7	RingCount:	3
HBD:	0	FractionCSP3:	0.08
AlogP:	0.7	Num_rotatable_bonds:	2
MolWt:	289.3	Num_heavy_atoms:	20
TPSA:	95.49	NumAromaticRings:	2