GD013743

Name:

AURANTOSIDE B

Formula:

C37H44O15N2Cl2

Smiles:

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

Aglycone:

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

Sugarmoiety:

CC1OC(OC2COC(OC3C(O)OCC(O)C3O)C(O)C2O)C(O)C1O

Other Identifiers

• CHEMBL502323

AD10210

Formula: C22H20O4N2Cl2

Smiles:

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

HBA:	6	RingCount:	1
HBD:	4	FractionCSP3:	0.15
AlogP:	3.23	Num_rotatable_bonds:	8
MolWt:	423.3	Num_heavy_atoms:	28
TPSA:	109.49	NumAromaticRings:	0