GD033388

Name:

SODIUM HEPARIN

Formula:

C26H41O34NS4

Smiles:

CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@H](C(=O)O)O[C@H](O[C@H]3[C@H](CS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H](O[C@@H]4[C@H](O)[C@H](OS(=O)(=O)O)C(O)O[C@H]4C(=O)O)O[C@H]3O)[C@H](O)[C@H]2O)O[C@H](COS(=O)(=O)O)[C@H](O)[C@H]1O

Aglycone:

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

Sugarmoiety:

CC(=O)NC1C(OC2C(C(=O)O)OC(OC3C(O)OC(OC4C(O)OC(O)OC4C(=O)O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1O

Other Identifiers

• CHEMBL526514

AD00013

Formula: CH4O3S

Smiles:

CS(=O)(=O)O

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-0.5	Num_rotatable_bonds:	0
MolWt:	96.11	Num_heavy_atoms:	5
TPSA:	54.37	NumAromaticRings:	0

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