GD018386

Name:

None

Formula:

C44H68O28N2

Smiles:

CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@]4(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H]3O)[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(=O)c2ccccc2)[C@H]1O

Aglycone:

CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.NC(=O)c1ccccc1

Sugarmoiety:

CCOC1OC(CO)C(O)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C1O

Other Identifiers

• CHEMBL3040264

AD00077

Formula: C11H19O9N

Smiles:

CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

HBA:	10	RingCount:	1
HBD:	7	FractionCSP3:	0.82
AlogP:	-3.87	Num_rotatable_bonds:	5
MolWt:	309.27	Num_heavy_atoms:	21
TPSA:	176.78	NumAromaticRings:	0

AD01413

Formula: C7H7ON

Smiles:

NC(=O)c1ccccc1

HBA:	2	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	0.79	Num_rotatable_bonds:	1
MolWt:	121.14	Num_heavy_atoms:	9
TPSA:	43.09	NumAromaticRings:	1