GD030521

Name:

None

Formula:

C20H30O33N3S6

Smiles:

O=C([O-])[C@@H]1O[C@H](O[C@@H]2[C@H](COS(=O)(=O)[O-])O[C@H](OCCNS(=O)(=O)[O-])[C@H](NS(=O)(=O)[O-])[C@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]1NS(=O)(=O)[O-]

Aglycone:

COS(=O)(=O)[O-].COS(=O)(=O)[O-].NS(=O)(=O)[O-].NS(=O)(=O)[O-].O=S(=O)([O-])NCCO.O=S(=O)([O-])O

Sugarmoiety:

O=C(O)C1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4551276

AD00426

Formula: HO4S

Smiles:

O=S(=O)([O-])O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	0.0
AlogP:	-1.0	Num_rotatable_bonds:	0
MolWt:	97.07	Num_heavy_atoms:	5
TPSA:	77.43	NumAromaticRings:	0

AD00581

Formula: CH3O4S

Smiles:

COS(=O)(=O)[O-]

HBA:	4	RingCount:	0
HBD:	0	FractionCSP3:	1.0
AlogP:	-0.91	Num_rotatable_bonds:	1
MolWt:	111.1	Num_heavy_atoms:	6
TPSA:	66.43	NumAromaticRings:	0

AD00924

Formula: H2O3NS

Smiles:

NS(=O)(=O)[O-]

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-1.59	Num_rotatable_bonds:	0
MolWt:	96.09	Num_heavy_atoms:	5
TPSA:	83.22	NumAromaticRings:	0

AD13933

Formula: C2H6O4NS

Smiles:

O=S(=O)([O-])NCCO

HBA:	5	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-1.97	Num_rotatable_bonds:	3
MolWt:	140.14	Num_heavy_atoms:	8
TPSA:	89.46	NumAromaticRings:	0