GD086623

Name:

None

Formula:

C14H22O11N2S

Smiles:

CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NS(N)(=O)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.NS(N)(=O)=O

Sugarmoiety:

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

Other Identifiers

• ZINC001260083971

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

AD03347

Formula: H4O2N2S

Smiles:

NS(N)(=O)=O

HBA:	4	RingCount:	0
HBD:	4	FractionCSP3:	0.0
AlogP:	-1.85	Num_rotatable_bonds:	0
MolWt:	96.11	Num_heavy_atoms:	5
TPSA:	86.18	NumAromaticRings:	0