GD156543

Name:

Aurantoside B

Formula:

C37H44O15N2Cl2

Smiles:

CC(Cl)=CC(Cl)=CC=CC=CC=CC=CC(O)=C1C(=O)C(CC(=N)O)N(C2OCC(O)C(O)C2OC2OCC(OC3OC(C)C(O)C3O)C(O)C2O)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

• CNP0150138

AD55280

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:	4.28	Num_rotatable_bonds:	8
MolWt:	423.3	Num_heavy_atoms:	28
TPSA:	110.48	NumAromaticRings:	0