GD027310

Name:

None

Formula:

C23H30O9N4S

Smiles:

CC(=O)OC[C@@H]1O[C@H](NC(=S)NN=C(C)c2cccc(N)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=NNC(N)=S)c1cccc(N)c1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL516947

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

AD17959

Formula: C9H12N4S

Smiles:

CC(=NNC(N)=S)c1cccc(N)c1

HBA:	4	RingCount:	1
HBD:	5	FractionCSP3:	0.11
AlogP:	0.83	Num_rotatable_bonds:	2
MolWt:	208.29	Num_heavy_atoms:	14
TPSA:	76.43	NumAromaticRings:	1