GD095398

Name:

None

Formula:

C18H25O11N3S

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cc(NCCS(C)(=O)=O)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.CS(=O)(=O)CCNc1c[nH]c(=O)[nH]c1=O

Sugarmoiety:

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

Other Identifiers

• ZINC001162324383

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

AD40721

Formula: C7H11O4N3S

Smiles:

CS(=O)(=O)CCNc1c[nH]c(=O)[nH]c1=O

HBA:	7	RingCount:	1
HBD:	3	FractionCSP3:	0.43
AlogP:	-1.48	Num_rotatable_bonds:	4
MolWt:	233.25	Num_heavy_atoms:	15
TPSA:	111.89	NumAromaticRings:	1