GD115409

Name:

Alpha-D-Glcnac-(1->4)-Beta-D-Glca-(1->4)-Alpha-D-Glcnac-(1->4)-Beta-D-Glca-(1->3)-Beta-D-Gal-(1->3)-Beta-D-Gal-(1->4)-Beta-D-Xyl-(1->3)-L-Ser

Formula:

C48H77O39N3

Smiles:

CC(O)=NC1C(OC2C(C(=O)O)OC(OC3C(CO)OC(OC4C(C(=O)O)OC(OC5C(O)C(CO)OC(OC6C(O)C(CO)OC(OC7COC(OCC(N)C(=O)O)C(O)C7O)C6O)C5O)C(O)C4O)C(N=C(C)O)C3O)C(O)C2O)OC(CO)C(O)C1O

Aglycone:

NC(CO)C(=O)O

Sugarmoiety:

CC(O)=NC1C(OC2C(C(=O)O)OC(OC3C(CO)OC(OC4C(C(=O)O)OC(OC5C(O)C(CO)OC(OC6C(O)C(CO)OC(OC7COC(O)C(O)C7O)C6O)C5O)C(O)C4O)C(N=C(C)O)C3O)C(O)C2O)OC(CO)C(O)C1O

Other Identifiers

• CNP0201353

AD12233

Formula: C3H7O3N

Smiles:

NC(CO)C(=O)O

HBA:	4	RingCount:	0
HBD:	4	FractionCSP3:	0.67
AlogP:	-1.61	Num_rotatable_bonds:	2
MolWt:	105.09	Num_heavy_atoms:	7
TPSA:	83.55	NumAromaticRings:	0