GD106328

Name:

None

Formula:

C20H25O13N3

Smiles:

COC(=O)c1nnn([C@H]2[C@@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1C(=O)OC

Aglycone:

COC(=O)C1=C(C(=O)OC)N=N[N]1.COC(C)=O

Sugarmoiety:

CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000198686926

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

AD44148

Formula: C6H6O4N3

Smiles:

COC(=O)C1=C(C(=O)OC)N=N[N]1

HBA:	7	RingCount:	1
HBD:	0	FractionCSP3:	0.33
AlogP:	-0.47	Num_rotatable_bonds:	2
MolWt:	184.13	Num_heavy_atoms:	13
TPSA:	91.42	NumAromaticRings:	0