GD000309

Name:

SIALYL LEWIS X

Formula:

C31H52O23N2

Smiles:

CC(=O)N[C@H](C=O)[C@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O)[C@H](O)CO

Aglycone:

CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

Sugarmoiety:

CC(=O)NC(C=O)C(OC1OC(C)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO

Other Identifiers

• CHEMBL2368729
• CHEMBL375586

AD00077

Formula: C11H19O9N

Smiles:

CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

HBA:	10	RingCount:	1
HBD:	7	FractionCSP3:	0.82
AlogP:	-3.87	Num_rotatable_bonds:	5
MolWt:	309.27	Num_heavy_atoms:	21
TPSA:	176.78	NumAromaticRings:	0