GD098958

Name:

None

Formula:

C21H27O7N6

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N4C[C@H]5[C@@H]([NH3+])[C@H]5C4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.[NH3+]C1C2CN(c3ncnc4c3N=C[N]4)CC12

Sugarmoiety:

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

Other Identifiers

• ZINC001165382996

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

AD42119

Formula: C10H12N6

Smiles:

[NH3+]C1C2CN(c3ncnc4c3N=C[N]4)CC12

HBA:	6	RingCount:	4
HBD:	3	FractionCSP3:	0.5
AlogP:	-0.94	Num_rotatable_bonds:	1
MolWt:	216.25	Num_heavy_atoms:	16
TPSA:	83.12	NumAromaticRings:	1