GD011121

Name:

None

Formula:

C27H29O13N4PS

Smiles:

CC(=O)O[C@@H]1[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)O[C@@H](COP2(=O)OCc3ccccc3O2)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COP1(=O)OCc2ccccc2O1.NS(=O)(=O)c1ccc(C2=C[N]N=N2)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3613283

AD01018

Formula: C8H7O2N4S

Smiles:

NS(=O)(=O)c1ccc(C2=C[N]N=N2)cc1

HBA:	6	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	0.62	Num_rotatable_bonds:	2
MolWt:	223.24	Num_heavy_atoms:	15
TPSA:	98.98	NumAromaticRings:	1

AD03052

Formula: C8H9O4P

Smiles:

COP1(=O)OCc2ccccc2O1

HBA:	4	RingCount:	2
HBD:	0	FractionCSP3:	0.25
AlogP:	2.35	Num_rotatable_bonds:	1
MolWt:	200.13	Num_heavy_atoms:	13
TPSA:	44.76	NumAromaticRings:	1