GD110453

Name:

None

Formula:

C25H24O10NClS2

Smiles:

CC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1NC(=S)SC1=Cc1ccc(Cl)cc1

Sugarmoiety:

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

Other Identifiers

• ZINC000005396022

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

AD44642

Formula: C11H6ONClS2

Smiles:

O=C1NC(=S)SC1=Cc1ccc(Cl)cc1

HBA:	2	RingCount:	2
HBD:	1	FractionCSP3:	0.0
AlogP:	2.83	Num_rotatable_bonds:	1
MolWt:	255.75	Num_heavy_atoms:	15
TPSA:	29.1	NumAromaticRings:	1