GD029076

Name:

AURANTOSIDE C

Formula:

C39H46O15N2Cl2

Smiles:

CC(Cl)=CC=CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)[C@H](CC(N)=O)N([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H]3O)[C@H]2O)C1=O

Aglycone:

CC(Cl)=CC=CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)NC(CC(N)=O)C1=O

Sugarmoiety:

CC1OC(OC2C(CO)OC(OC3C(O)OCC(O)C3O)C2O)C(O)C1O

Other Identifiers

• CHEMBL471538

AD18953

Formula: C24H22O4N2Cl2

Smiles:

CC(Cl)=CC=CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)NC(CC(N)=O)C1=O

HBA:	6	RingCount:	1
HBD:	4	FractionCSP3:	0.14
AlogP:	3.79	Num_rotatable_bonds:	9
MolWt:	449.33	Num_heavy_atoms:	30
TPSA:	109.49	NumAromaticRings:	0