GD103556

Name:

None

Formula:

C20H23O13N

Smiles:

CC(=O)OC[C@@H]1O[C@@H](Oc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]1(O)OC(C)=O

Aglycone:

COC(C)=O.O=[N+]([O-])c1ccc(O)cc1

Sugarmoiety:

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

Other Identifiers

• ZINC000019911813

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

AD00091

Formula: C6H5O3N

Smiles:

O=[N+]([O-])c1ccc(O)cc1

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.0
AlogP:	1.3	Num_rotatable_bonds:	1
MolWt:	139.11	Num_heavy_atoms:	10
TPSA:	63.37	NumAromaticRings:	1