GD021076

Name:

None

Formula:

C31H31O9N6F

Smiles:

CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](n2cc(-c3nc(-c4ccc(F)cc4)c(-c4ccncc4)n3C)nn2)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.Cn1c(C2=C[N]N=N2)nc(-c2ccc(F)cc2)c1-c1ccncc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3121002

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

AD06881

Formula: C17H12N6F

Smiles:

Cn1c(C2=C[N]N=N2)nc(-c2ccc(F)cc2)c1-c1ccncc1

HBA:	6	RingCount:	4
HBD:	0	FractionCSP3:	0.06
AlogP:	3.57	Num_rotatable_bonds:	3
MolWt:	319.32	Num_heavy_atoms:	24
TPSA:	69.53	NumAromaticRings:	3