GD006197

Name:

AURANTOSIDE I

Formula:

C35H47O15N2Cl

Smiles:

CO[C@@H]1[C@H](O[C@@H]2CO[C@H](O[C@@H]3[C@H](O)[C@H](O)CO[C@H]3N3C(=O)C(=C(O)C=CC=CC=CC=CC=C(C)Cl)C(=O)[C@H]3CC(N)O)[C@H](O)[C@H]2O)O[C@H](C)[C@H]1O

Aglycone:

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

Sugarmoiety:

COC1C(OC2COC(OC3C(O)OCC(O)C3O)C(O)C2O)OC(C)C1O

Other Identifiers

• CHEMBL455754

AD05147

Formula: C19H21O4N2Cl

Smiles:

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

HBA:	6	RingCount:	1
HBD:	5	FractionCSP3:	0.22
AlogP:	1.9	Num_rotatable_bonds:	7
MolWt:	364.83	Num_heavy_atoms:	25
TPSA:	112.65	NumAromaticRings:	0