GD104615

Name:

None

Formula:

C20H16O7N4Cl2

Smiles:

CC(=O)OC[C@@H]1O[C@@H](n2cc(C#N)c3c(Cl)nc(Cl)nc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.N#CC1=C[N]c2nc(Cl)nc(Cl)c21

Sugarmoiety:

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

Other Identifiers

• ZINC000005086444

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

AD44004

Formula: C9HN4Cl2

Smiles:

N#CC1=C[N]c2nc(Cl)nc(Cl)c21

HBA:	4	RingCount:	2
HBD:	0	FractionCSP3:	0.0
AlogP:	1.9	Num_rotatable_bonds:	0
MolWt:	212.02	Num_heavy_atoms:	13
TPSA:	63.67	NumAromaticRings:	1