GD079229

Name:

None

Formula:

C16H18O9N4

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(=O)[nH]c32)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=c1[nH]c2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:

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

Other Identifiers

• ZINC000004803312

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

AD02805

Formula: C5H3O2N4

Smiles:

O=c1[nH]c2c(c(=O)[nH]1)N=C[N]2

HBA:	6	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	-1.03	Num_rotatable_bonds:	0
MolWt:	151.11	Num_heavy_atoms:	11
TPSA:	92.18	NumAromaticRings:	1