GD083170

Name:

None

Formula:

C17H25O10N

Smiles:

CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@@H](N(C)C(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CNC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1OC(O)C(OC(C)=O)C(OC(C)=O)C1O

Other Identifiers

• ZINC000005732831

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD01019

Formula: C3H7ON

Smiles:

CNC(C)=O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.67
AlogP:	-0.25	Num_rotatable_bonds:	0
MolWt:	73.09	Num_heavy_atoms:	5
TPSA:	29.1	NumAromaticRings:	0