GD013594

Name:

None

Formula:

C21H32O9N4

Smiles:

CCN(CC)c1c(C)nnn1C1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CCN(CC)C1=C(C)N=N[N]1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL2005700

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

AD10114

Formula: C7H13N4

Smiles:

CCN(CC)C1=C(C)N=N[N]1

HBA:	4	RingCount:	1
HBD:	0	FractionCSP3:	0.71
AlogP:	1.5	Num_rotatable_bonds:	3
MolWt:	153.21	Num_heavy_atoms:	11
TPSA:	42.06	NumAromaticRings:	0