GD021748

Name:

None

Formula:

C24H29O13N5S

Smiles:

CC(=O)OC[C@@H]1O[C@H](On2cc(CNC(=O)c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.NS(=O)(=O)c1ccc(C(=O)NCc2cn(O)nn2)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL505415

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

AD00407

Formula: C10H11O4N5S

Smiles:

NS(=O)(=O)c1ccc(C(=O)NCc2cn(O)nn2)cc1

HBA:	9	RingCount:	2
HBD:	4	FractionCSP3:	0.1
AlogP:	-0.91	Num_rotatable_bonds:	4
MolWt:	297.3	Num_heavy_atoms:	20
TPSA:	140.2	NumAromaticRings:	2