GD092094

Name:

None

Formula:

C18H27O8N4

Smiles:

CC(=O)OC[C@H]1O[C@@H](O)[C@H](n2cc([C@@H]3CC[NH2+]C3)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

C1=C(C2CC[NH2+]C2)N=N[N]1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC001246057416

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

AD40207

Formula: C6H10N4

Smiles:

C1=C(C2CC[NH2+]C2)N=N[N]1

HBA:	4	RingCount:	2
HBD:	2	FractionCSP3:	0.67
AlogP:	-0.6	Num_rotatable_bonds:	1
MolWt:	138.17	Num_heavy_atoms:	10
TPSA:	55.43	NumAromaticRings:	0