GD012108

Name:

None

Formula:

C24H29O12N3S2

Smiles:

CC(=O)OC[C@@H]1O[C@H](N2C(=O)CSC2=NNS(=O)(=O)c2ccc(C)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.Cc1ccc(S(=O)(=O)NN=C2NC(=O)CS2)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL2269900

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

AD09148

Formula: C10H11O3N3S2

Smiles:

Cc1ccc(S(=O)(=O)NN=C2NC(=O)CS2)cc1

HBA:	6	RingCount:	2
HBD:	2	FractionCSP3:	0.2
AlogP:	0.41	Num_rotatable_bonds:	3
MolWt:	285.35	Num_heavy_atoms:	18
TPSA:	87.63	NumAromaticRings:	1