GD092809

Name:

None

Formula:

C17H21O11N3

Smiles:

CCOC(=O)c1c([N+](=O)[O-])cnn1[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CCOC(=O)C1=C([N+](=O)[O-])C=N[N]1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000005519786

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

AD40359

Formula: C6H6O4N3

Smiles:

CCOC(=O)C1=C([N+](=O)[O-])C=N[N]1

HBA:	7	RingCount:	1
HBD:	0	FractionCSP3:	0.33
AlogP:	-0.36	Num_rotatable_bonds:	3
MolWt:	184.13	Num_heavy_atoms:	13
TPSA:	95.9	NumAromaticRings:	0