GD108560

Name:

None

Formula:

C20H22O13N2S

Smiles:

CC(=O)OC[C@@H]1O[C@@H](Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=[N+]([O-])c1ccc(S)c([N+](=O)[O-])c1

Sugarmoiety:

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

Other Identifiers

• ZINC000005339544

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

AD33066

Formula: C6H4O4N2S

Smiles:

O=[N+]([O-])c1ccc(S)c([N+](=O)[O-])c1

HBA:	6	RingCount:	1
HBD:	0	FractionCSP3:	0.0
AlogP:	1.79	Num_rotatable_bonds:	2
MolWt:	200.17	Num_heavy_atoms:	13
TPSA:	86.28	NumAromaticRings:	1