GD013675

Name:

None

Formula:

C18H21O13N3

Smiles:

CC(=O)OCC1OC(n2cc([N+](=O)[O-])c(=O)[nH]c2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.O=c1[nH]cc([N+](=O)[O-])c(=O)[nH]1

Sugarmoiety:

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

Other Identifiers

• CHEMBL2003268

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

AD10163

Formula: C4H3O4N3

Smiles:

O=c1[nH]cc([N+](=O)[O-])c(=O)[nH]1

HBA:	7	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-1.03	Num_rotatable_bonds:	1
MolWt:	157.09	Num_heavy_atoms:	11
TPSA:	108.86	NumAromaticRings:	1