GD015096

Name:

None

Formula:

C25H31O14N5

Smiles:

CC(=O)OC1C(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)c([N+](=O)[O-])c2)OC(C(=O)N2CCOCC2)C(OC(C)=O)C1OC(C)=O

Aglycone:

CN(C)c1c([N+](=O)[O-])cc(C(N)=O)cc1[N+](=O)[O-].O=CN1CCOCC1

Sugarmoiety:

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

Other Identifiers

• CHEMBL600484

AD05370

Formula: C5H9O2N

Smiles:

O=CN1CCOCC1

HBA:	3	RingCount:	1
HBD:	0	FractionCSP3:	0.8
AlogP:	-0.53	Num_rotatable_bonds:	1
MolWt:	115.13	Num_heavy_atoms:	8
TPSA:	29.54	NumAromaticRings:	0

AD11013

Formula: C9H10O5N4

Smiles:

CN(C)c1c([N+](=O)[O-])cc(C(N)=O)cc1[N+](=O)[O-]

HBA:	9	RingCount:	1
HBD:	2	FractionCSP3:	0.22
AlogP:	0.67	Num_rotatable_bonds:	4
MolWt:	254.2	Num_heavy_atoms:	18
TPSA:	132.61	NumAromaticRings:	1