GD118503

Name:

None

Formula:

C56H94O63S6

Smiles:

COC1C(O)C(OC2C(O)C(COS(=O)(=O)O)OC(OC3C(C)OC(OC4C(OC5OCC(OS(=O)(=O)O)C(O)C5OC5OC(C)C(OC6OC(COS(=O)(=O)O)C(O)C(OC7OC(OS(=O)(=O)O)C(O)C(OC)C7O)C6O)C(O)C5OC5OCC(O)C(O)C5O)OCC(OS(=O)(=O)O)C4O)C(OC4OCC(O)C(O)C4O)C3O)C2O)OC(OS(=O)(=O)O)C1O

Aglycone:

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

Sugarmoiety:

COC1C(O)C(O)OC(OC2C(O)C(O)OC(OC3C(C)OC(OC4C(OC5OCOC(O)C5OC5OC(C)C(OC6OC(CO)C(O)C(OC7OC(O)C(O)C(OC)C7O)C6O)C(O)C5OC5OCC(O)C(O)C5O)OCC(O)C4O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C1O

Other Identifiers

• CNP0441204

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