GD125766

Name:

Beta-L-Idopa2S-(1->3)-Beta-D-Galpnac4S-(1->4)-Beta-D-Glcpa-(1->3)-Beta-D-Galpnac4S

Formula:

C28H44O32N2S3

Smiles:

CC(O)=NC1C(O)OC(CO)C(OS(=O)(=O)O)C1OC1OC(C(=O)O)C(OC2OC(CO)C(OS(=O)(=O)O)C(OC3OC(C(=O)O)C(O)C(O)C3OS(=O)(=O)O)C2N=C(C)O)C(O)C1O

Aglycone:

O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:

CC(O)=NC1C(O)OC(CO)C(O)C1OC1OC(C(=O)O)C(OC2OC(CO)C(O)C(OC3OC(C(=O)O)C(O)C(O)C3O)C2N=C(C)O)C(O)C1O

Other Identifiers

• CNP0083197

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