GD037836

Name:

prop-2-en-1-yl 2-(acetylamino)-4-o-(3-o-{[1-(5-amino-1h-1,2,4-triazol-3-yl)-1h-1,2,3-triazol-4-yl]methyl}-beta-d-galactopyranosyl)-2-deoxy-beta-d-glucopyranoside

Formula:

C22H34O11N8

Smiles:

C=CCO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](OCc3cn(-c4n[nH]c(N)n4)nn3)[C@@H]2O)[C@H](O)[C@H]1NC(C)=O

Aglycone:

Nc1nc(-n2cc(CO)nn2)n[nH]1

Sugarmoiety:

C=CCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1NC(C)=O

Other Identifiers

• 2XW

AD23750

Formula: C5H7ON7

Smiles:

Nc1nc(-n2cc(CO)nn2)n[nH]1

HBA:	8	RingCount:	2
HBD:	4	FractionCSP3:	0.2
AlogP:	-1.54	Num_rotatable_bonds:	2
MolWt:	181.16	Num_heavy_atoms:	13
TPSA:	118.53	NumAromaticRings:	2