GD032778

Name:

SODIUM PHOSPHOMANNOPENTAOSE SULFATE

Formula:

C30H35O77PS16

Smiles:

O=P([O-])([O-])OC[C@@H]1O[C@H](O[C@@H]2[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]3[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]4[C@H](OS(=O)(=O)[O-])[C@H](O[C@@H]5C(OS(=O)(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]5OS(=O)(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H]4OS(=O)(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])O[C@H](COS(=O)(=O)[O-])[C@H]2OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-]

Aglycone:

COP(=O)([O-])[O-].COS(=O)(=O)[O-].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.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O.O=S(=O)([O-])O

Sugarmoiety:

OCC1OC(O)C(OC2OC(CO)C(O)C(OC3OC(O)OC(OC4OC(O)OC(OC5OC(O)C(O)C(O)C5O)C4O)C3O)C2O)C(O)C1O

Other Identifiers

• CHEMBL2153269

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

AD01339

Formula: CH3O4P

Smiles:

COP(=O)([O-])[O-]

HBA:	4	RingCount:	0
HBD:	0	FractionCSP3:	1.0
AlogP:	-1.54	Num_rotatable_bonds:	1
MolWt:	110.0	Num_heavy_atoms:	6
TPSA:	72.42	NumAromaticRings:	0