GD106076

Name:

None

Formula:

C20H26O13N4

Smiles:

CC(=O)OC[C@@H]1O[C@H](Nc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.Cn1c(N)c([N+](=O)[O-])c(=O)n(C)c1=O

Sugarmoiety:

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

Other Identifiers

• ZINC000252613266

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

AD44109

Formula: C6H8O4N4

Smiles:

Cn1c(N)c([N+](=O)[O-])c(=O)n(C)c1=O

HBA:	8	RingCount:	1
HBD:	2	FractionCSP3:	0.33
AlogP:	-1.43	Num_rotatable_bonds:	1
MolWt:	200.15	Num_heavy_atoms:	14
TPSA:	113.16	NumAromaticRings:	1