GD001894

Name:

None

Formula:

C33H54O61S11

Smiles:

CO[C@@H]1C(OS(=O)(=O)O)[C@H](O[C@H]2C(COS(=O)(=O)O)O[C@@H](O[C@H]3C(C(=O)O)O[C@@H](O[C@H]4C(COS(=O)(=O)O)O[C@@H](OC)C(OS(=O)(=O)O)[C@H]4OS(=O)(=O)O)C(OS(=O)(=O)O)[C@H]3OC)C(OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)OC(C(=O)O)[C@@H]1O[C@@H]1OC(COS(=O)(=O)O)[C@H](O)[C@H](OS(=O)(=O)O)C1OS(=O)(=O)O

Aglycone:

COS(=O)(=O)O.COS(=O)(=O)O.COS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:

COC1OC(O)C(OC2OC(C(=O)O)C(OC3OC(O)C(OC4OC(C(=O)O)C(OC5OC(O)C(O)C(O)C5O)C(OC)C4O)C(O)C3O)C(OC)C2O)C(O)C1O

Other Identifiers

• CHEMBL1160288

AD00034

Formula: H2O4S

Smiles:

O=S(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	98.08	Num_heavy_atoms:	5
TPSA:	74.6	NumAromaticRings:	0

AD00053

Formula: CH4O4S

Smiles:

COS(=O)(=O)O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-0.56	Num_rotatable_bonds:	1
MolWt:	112.11	Num_heavy_atoms:	6
TPSA:	63.6	NumAromaticRings:	0