GD012104

Name:

None

Formula:

C21H34O13N3

Smiles:

C[C@@H]1O[C@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H](CN=[N+]=[N-])C(=O)[O-])[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

OC1CCCCC1O.[N-]=[N+]=NCC(O)C(=O)[O-]

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1743598

AD00489

Formula: C6H12O2

Smiles:

OC1CCCCC1O

HBA:	2	RingCount:	1
HBD:	2	FractionCSP3:	1.0
AlogP:	0.28	Num_rotatable_bonds:	0
MolWt:	116.16	Num_heavy_atoms:	8
TPSA:	40.46	NumAromaticRings:	0

AD09145

Formula: C3H4O3N3

Smiles:

[N-]=[N+]=NCC(O)C(=O)[O-]

HBA:	6	RingCount:	0
HBD:	1	FractionCSP3:	0.67
AlogP:	-1.59	Num_rotatable_bonds:	3
MolWt:	130.08	Num_heavy_atoms:	9
TPSA:	109.12	NumAromaticRings:	0