GD037986

Name:

(6r)-5-(acetylamino)-3,5-dideoxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]-beta-l-threo-hex-2-ulopyranonosyl-(2->6)-beta-d-gal actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-d-glucopyranose

Formula:

C25H42O19N2

Smiles:

CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO[C@@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@@H](O)[C@@H](O)CO)O3)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H]1O

Aglycone:

COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1

Sugarmoiety:

CC(=O)NC1C(O)OC(CO)C(OC2OC(O)C(O)C(O)C2O)C1O

Other Identifiers

• 4U1

AD04680

Formula: C12H21O9N

Smiles:

COC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1

HBA:	10	RingCount:	1
HBD:	6	FractionCSP3:	0.83
AlogP:	-3.22	Num_rotatable_bonds:	6
MolWt:	323.3	Num_heavy_atoms:	22
TPSA:	165.78	NumAromaticRings:	0