GD037868

Name:

n-[(2s,3r,4e)-1-{[alpha-d-galactopyranosyl-(1->4)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide

Formula:

C62H117O18N

Smiles:

CCCCCCCCCCCCCC=C[C@H](O)[C@@H](CO[C@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

Aglycone:

CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

Sugarmoiety:

OCC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• 3GB

AD17958

Formula: C44H87O3N

Smiles:

CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.93
AlogP:	13.46	Num_rotatable_bonds:	40
MolWt:	678.18	Num_heavy_atoms:	48
TPSA:	69.56	NumAromaticRings:	0