GD099369

Name:

None

Formula:

C21H26O8N4

Smiles:

C#CCN(CC#C)Cc1cn([C@H]2[C@H](O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)nn1

Aglycone:

C#CCN(CC#C)CC1=C[N]N=N1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC001254113345

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

AD29308

Formula: C9H9N4

Smiles:

C#CCN(CC#C)CC1=C[N]N=N1

HBA:	4	RingCount:	1
HBD:	0	FractionCSP3:	0.33
AlogP:	0.38	Num_rotatable_bonds:	4
MolWt:	173.2	Num_heavy_atoms:	13
TPSA:	42.06	NumAromaticRings:	0