GD067937

Name:

None

Formula:

C15H18O8N2

Smiles:

CC(=O)OC[C@@H]1O[C@@H](n2cccnc2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.O=c1nccc[nH]1

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C1OC(C)=O

Other Identifiers

• ZINC000005496513

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

AD05444

Formula: C4H4ON2

Smiles:

O=c1nccc[nH]1

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.0
AlogP:	-0.23	Num_rotatable_bonds:	0
MolWt:	96.09	Num_heavy_atoms:	7
TPSA:	45.75	NumAromaticRings:	1