GD091768

Name:

None

Formula:

C18H25O10N3

Smiles:

CCC(=O)OCc1cn([C@H]2[C@H](O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)nn1

Aglycone:

CCC(=O)OCC1=C[N]N=N1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC001254113320

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

AD26125

Formula: C6H8O2N3

Smiles:

CCC(=O)OCC1=C[N]N=N1

HBA:	5	RingCount:	1
HBD:	0	FractionCSP3:	0.5
AlogP:	0.77	Num_rotatable_bonds:	3
MolWt:	154.15	Num_heavy_atoms:	11
TPSA:	65.12	NumAromaticRings:	0