GD095724

Name:

None

Formula:

C17H24O11N2S

Smiles:

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

Aglycone:

CC(C#N)S(N)(=O)=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC001193173480

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

AD25115

Formula: C3H6O2N2S

Smiles:

CC(C#N)S(N)(=O)=O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.67
AlogP:	-0.81	Num_rotatable_bonds:	1
MolWt:	134.16	Num_heavy_atoms:	8
TPSA:	83.95	NumAromaticRings:	0