GD023217

Name:

None

Formula:

C26H30O10N4S

Smiles:

C=CCN1C(=O)C(=NNC(=S)N[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c2ccccc21

Aglycone:

C=CCN1C(=O)C(=NNC(N)=S)c2ccccc21.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL3961682

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

AD15638

Formula: C12H12ON4S

Smiles:

C=CCN1C(=O)C(=NNC(N)=S)c2ccccc21

HBA:	5	RingCount:	2
HBD:	3	FractionCSP3:	0.08
AlogP:	0.76	Num_rotatable_bonds:	3
MolWt:	260.32	Num_heavy_atoms:	18
TPSA:	70.72	NumAromaticRings:	1