GD008782

Name:

DEMETHYLALLOSAMIDIN

Formula:

C24H40O14N4

Smiles:

CNC1=N[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@@H](CO)[C@H]2O1

Aglycone:

CNC1=NC2C(O)C(O)C(CO)C2O1

Sugarmoiety:

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

Other Identifiers

• CHEMBL1813419

AD06968

Formula: C8H14O4N2

Smiles:

CNC1=NC2C(O)C(O)C(CO)C2O1

HBA:	6	RingCount:	2
HBD:	4	FractionCSP3:	0.88
AlogP:	-2.33	Num_rotatable_bonds:	1
MolWt:	202.21	Num_heavy_atoms:	14
TPSA:	94.31	NumAromaticRings:	0