GD018516

Name:

None

Formula:

C31H31O10N5

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2cc(CN3C(=O)C(=Cc4ccccn4)c4ccccc43)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1C(=Cc2ccccn2)c2ccccc2N1CC1=C[N]N=N1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3797891

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

AD13052

Formula: C17H12ON5

Smiles:

O=C1C(=Cc2ccccn2)c2ccccc2N1CC1=C[N]N=N1

HBA:	6	RingCount:	4
HBD:	0	FractionCSP3:	0.06
AlogP:	2.8	Num_rotatable_bonds:	3
MolWt:	302.32	Num_heavy_atoms:	23
TPSA:	72.02	NumAromaticRings:	2