GD093840

Name:

None

Formula:

C17H23O11N3S

Smiles:

CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NS(=O)(=O)c2ncc[nH]2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.NS(=O)(=O)c1ncc[nH]1

Sugarmoiety:

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

• ZINC001190748890

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

AD40456

Formula: C3H5O2N3S

Smiles:

NS(=O)(=O)c1ncc[nH]1

HBA:	5	RingCount:	1
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.94	Num_rotatable_bonds:	1
MolWt:	147.16	Num_heavy_atoms:	9
TPSA:	88.84	NumAromaticRings:	1