GD095513

Name:

None

Formula:

C20H27O9N6

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cc(-n3nc(CC[NH3+])nc3C)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.Cc1nc(CC[NH3+])nn1-c1c[nH]c(=O)[nH]c1=O

Sugarmoiety:

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

Other Identifiers

• ZINC001168991748

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

AD40753

Formula: C9H13O2N6

Smiles:

Cc1nc(CC[NH3+])nn1-c1c[nH]c(=O)[nH]c1=O

HBA:	8	RingCount:	2
HBD:	5	FractionCSP3:	0.33
AlogP:	-2.26	Num_rotatable_bonds:	3
MolWt:	237.24	Num_heavy_atoms:	17
TPSA:	124.07	NumAromaticRings:	2