GD025794

Name:

None

Formula:

C31H43O45N3S7

Smiles:

CO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@H](O[C@@H]2O[C@@H]3C(=O)N[C@H]4[C@H](OS(=O)(=O)[O-])[C@@H](O[C@@H]5O[C@H](C(=O)[O-])[C@H](O[C@@H]6O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](O)[C@H]6NS(=O)(=O)[O-])[C@H](O)[C@H]5O)[C@@H](COS(=O)(=O)[O-])O[C@@H]4O[C@H]3[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@H](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=C1NC2C(OC(COS(=O)(=O)[O-])C(O)C2OS(=O)(=O)[O-])OC2C1OC(O)C(OS(=O)(=O)[O-])C2O

Sugarmoiety:

COC1OC(O)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4085202

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

AD17068

Formula: C12H16O19NS3

Smiles:

O=C1NC2C(OC(COS(=O)(=O)[O-])C(O)C2OS(=O)(=O)[O-])OC2C1OC(O)C(OS(=O)(=O)[O-])C2O

HBA:	20	RingCount:	3
HBD:	4	FractionCSP3:	0.92
AlogP:	-6.8	Num_rotatable_bonds:	7
MolWt:	574.45	Num_heavy_atoms:	35
TPSA:	316.77	NumAromaticRings:	0