GD111627

Name:

None

Formula:

C29H30O10N2S2

Smiles:

CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C\c3cccs3)C(=O)N2c2ccc(C)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.Cc1ccc(N2C(=O)C(=Cc3cccs3)N=C2S)cc1

Sugarmoiety:

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

Other Identifiers

• ZINC000252619660

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

AD44728

Formula: C15H12ON2S2

Smiles:

Cc1ccc(N2C(=O)C(=Cc3cccs3)N=C2S)cc1

HBA:	3	RingCount:	3
HBD:	0	FractionCSP3:	0.07
AlogP:	3.73	Num_rotatable_bonds:	2
MolWt:	300.41	Num_heavy_atoms:	20
TPSA:	32.67	NumAromaticRings:	2