GD027433

Name:

None

Formula:

C24H32O9N4S

Smiles:

CC(=O)OC[C@@H]1O[C@H](NC(=S)NN=Cc2ccc(N(C)C)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CN(C)c1ccc(C=NNC(N)=S)cc1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL2324815

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

AD18030

Formula: C10H14N4S

Smiles:

CN(C)c1ccc(C=NNC(N)=S)cc1

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	0.2
AlogP:	0.92	Num_rotatable_bonds:	3
MolWt:	222.32	Num_heavy_atoms:	15
TPSA:	53.65	NumAromaticRings:	1