GD016700

Name:

None

Formula:

C26H41O19N

Smiles:

CC(=O)N[C@@H]1[C@H](O)C[C@](O[C@H]2[C@H](O)[C@@H](O[C@@H]3CCO[C@H](CO[C@H](C)C(=O)[O-])[C@H]3O)O[C@@H](CO)[C@H]2O)(C(=O)[O-])O[C@H]1[C@H](O)[C@H](O)CO

Aglycone:

CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO.CC(OCC1OCCC(O)C1O)C(=O)[O-]

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL508868
• CHEMBL510821

AD00303

Formula: C11H18O9N

Smiles:

CC(=O)NC1C(O)CC(O)(C(=O)[O-])OC1C(O)C(O)CO

HBA:	10	RingCount:	1
HBD:	6	FractionCSP3:	0.82
AlogP:	-5.21	Num_rotatable_bonds:	5
MolWt:	308.26	Num_heavy_atoms:	21
TPSA:	179.61	NumAromaticRings:	0

AD11988

Formula: C9H15O6

Smiles:

CC(OCC1OCCC(O)C1O)C(=O)[O-]

HBA:	6	RingCount:	1
HBD:	2	FractionCSP3:	0.89
AlogP:	-2.35	Num_rotatable_bonds:	4
MolWt:	219.21	Num_heavy_atoms:	15
TPSA:	99.05	NumAromaticRings:	0