GD004814

Name:

None

Formula:

C25H27O11N5

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2cc(Cn3cc([N+](=O)[O-])c4ccccc43)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=[N+]([O-])c1cn(CC2=C[N]N=N2)c2ccccc12

Sugarmoiety:

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

Other Identifiers

• CHEMBL3797844

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

AD04157

Formula: C11H8O2N5

Smiles:

O=[N+]([O-])c1cn(CC2=C[N]N=N2)c2ccccc12

HBA:	7	RingCount:	3
HBD:	0	FractionCSP3:	0.09
AlogP:	2.38	Num_rotatable_bonds:	3
MolWt:	242.22	Num_heavy_atoms:	18
TPSA:	86.89	NumAromaticRings:	2