GD096380

Name:

None

Formula:

C19H30O11NS

Smiles:

CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([NH2+]C2CCS(=O)(=O)CC2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.[NH3+]C1CCS(=O)(=O)CC1

Sugarmoiety:

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1[OH2+]

Other Identifiers

• ZINC001256378882

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

AD40991

Formula: C5H12O2NS

Smiles:

[NH3+]C1CCS(=O)(=O)CC1

HBA:	3	RingCount:	1
HBD:	3	FractionCSP3:	1.0
AlogP:	-1.19	Num_rotatable_bonds:	0
MolWt:	150.22	Num_heavy_atoms:	9
TPSA:	61.78	NumAromaticRings:	0