GD026415

Name:

None

Formula:

C27H30O10N4

Smiles:

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

Aglycone:

CC(=O)c1cn(CC2=C[N]N=N2)c2ccccc12.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL3798545

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

AD17415

Formula: C13H11ON4

Smiles:

CC(=O)c1cn(CC2=C[N]N=N2)c2ccccc12

HBA:	5	RingCount:	3
HBD:	0	FractionCSP3:	0.15
AlogP:	2.67	Num_rotatable_bonds:	3
MolWt:	239.26	Num_heavy_atoms:	18
TPSA:	60.82	NumAromaticRings:	2