GD099054

Name:

None

Formula:

C18H26O9N5S

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cc(NC(=N)SCC[NH3+])c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.N=C(Nc1c[nH]c(=O)[nH]c1=O)SCC[NH3+]

Sugarmoiety:

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

Other Identifiers

• ZINC001167916224

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

AD42167

Formula: C7H12O2N5S

Smiles:

N=C(Nc1c[nH]c(=O)[nH]c1=O)SCC[NH3+]

HBA:	7	RingCount:	1
HBD:	7	FractionCSP3:	0.29
AlogP:	-1.62	Num_rotatable_bonds:	3
MolWt:	230.27	Num_heavy_atoms:	15
TPSA:	129.24	NumAromaticRings:	1