GD026417

Name:

None

Formula:

C33H33O10N5

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2cc(Cn3cc(C=CC(=O)c4cccnc4)c4ccccc43)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C(C=Cc1cn(CC2=C[N]N=N2)c2ccccc12)c1cccnc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3798896

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

AD17416

Formula: C19H14ON5

Smiles:

O=C(C=Cc1cn(CC2=C[N]N=N2)c2ccccc12)c1cccnc1

HBA:	6	RingCount:	4
HBD:	0	FractionCSP3:	0.05
AlogP:	3.76	Num_rotatable_bonds:	5
MolWt:	328.36	Num_heavy_atoms:	25
TPSA:	73.71	NumAromaticRings:	3