GD084975

Name:

None

Formula:

C16H21O9N4

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cc(/[NH+]=C/N)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.NC=[NH+]c1c[nH]c(=O)[nH]c1=O

Sugarmoiety:

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

Other Identifiers

• ZINC001167871083

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

AD38032

Formula: C5H7O2N4

Smiles:

NC=[NH+]c1c[nH]c(=O)[nH]c1=O

HBA:	6	RingCount:	1
HBD:	5	FractionCSP3:	0.0
AlogP:	-3.24	Num_rotatable_bonds:	1
MolWt:	155.14	Num_heavy_atoms:	11
TPSA:	105.71	NumAromaticRings:	1