GD040323

Name:

methyl-umbellifertl-n-acetyl-chitotriose

Formula:

C34H47O18N3

Smiles:

CC(=O)N[C@@H]1[C@@H](O[C@H]2[C@@H](CO)O[C@H](O[C@H]3[C@@H](CO)O[C@H](Oc4ccc5c(C)cc(=O)oc5c4)[C@@H](NC(C)=O)[C@H]3O)[C@@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O

Aglycone:

Cc1cc(=O)oc2cc(O)ccc12

Sugarmoiety:

CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3NC(C)=O)C(O)C2NC(C)=O)C1O

Other Identifiers

• UMG

AD00685

Formula: C10H8O3

Smiles:

Cc1cc(=O)oc2cc(O)ccc12

HBA:	3	RingCount:	2
HBD:	1	FractionCSP3:	0.1
AlogP:	1.81	Num_rotatable_bonds:	0
MolWt:	176.17	Num_heavy_atoms:	13
TPSA:	50.44	NumAromaticRings:	2