GD004199

Name:

None

Formula:

C18H28O11N12

Smiles:

[N-]=[N+]=NC[C@@H]1O[C@H](O[C@@H]2[C@H](N=[N+]=[N-])C[C@H](N=[N+]=[N-])[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](N=[N+]=[N-])[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

[N-]=[N+]=NC1CC(N=[N+]=[N-])C(O)C(O)C1O

Sugarmoiety:

[N-]=[N+]=NC1C(O)C(O)OC(CO)C1O.[N-]=[N+]=NCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4206541

AD00082

Formula: C6H10O3N6

Smiles:

[N-]=[N+]=NC1CC(N=[N+]=[N-])C(O)C(O)C1O

HBA:	9	RingCount:	1
HBD:	3	FractionCSP3:	1.0
AlogP:	-0.17	Num_rotatable_bonds:	2
MolWt:	214.19	Num_heavy_atoms:	15
TPSA:	158.21	NumAromaticRings:	0