GD034483

Name:

None

Formula:

C36H41O14N5

Smiles:

CCOC(=O)C1=C(C)Oc2nc(C)n(Cc3cn([C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)nn3)c(=O)c2C1c1ccccc1OC

Aglycone:

CCOC(=O)C1=C(C)Oc2nc(C)n(CC3=C[N]N=N3)c(=O)c2C1c1ccccc1OC.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4447019

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

AD21917

Formula: C22H22O5N5

Smiles:

CCOC(=O)C1=C(C)Oc2nc(C)n(CC3=C[N]N=N3)c(=O)c2C1c1ccccc1OC

HBA:	10	RingCount:	4
HBD:	0	FractionCSP3:	0.32
AlogP:	2.75	Num_rotatable_bonds:	6
MolWt:	436.45	Num_heavy_atoms:	32
TPSA:	118.47	NumAromaticRings:	2