GD123863

Name:

Monofucosyllacto-N-Hexaose

Formula:

C46H78O35N2

Smiles:

CC(O)=NC1C(OC2C(O)C(OOC3CC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3N=C(C)O)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:

CC(O)=NC1C(OO)CC(CO)C(O)C1O

Sugarmoiety:

CC(O)=NC1C(OC2C(O)C(O)OC(OC(C(O)CO)C(O)C(O)C=O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CNP0084941

AD50011

Formula: C9H17O6N

Smiles:

CC(O)=NC1C(OO)CC(CO)C(O)C1O

HBA:	7	RingCount:	1
HBD:	5	FractionCSP3:	0.89
AlogP:	-1.08	Num_rotatable_bonds:	3
MolWt:	235.24	Num_heavy_atoms:	16
TPSA:	122.74	NumAromaticRings:	0