GD111614

Name:

None

Formula:

C31H29O10N2ClS

Smiles:

CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1C(=Cc2ccc(Cl)cc2)N=C(S)N1c1ccccc1

Sugarmoiety:

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

Other Identifiers

• ZINC000252600396

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

AD44726

Formula: C17H11ON2ClS

Smiles:

O=C1C(=Cc2ccc(Cl)cc2)N=C(S)N1c1ccccc1

HBA:	3	RingCount:	3
HBD:	0	FractionCSP3:	0.0
AlogP:	4.01	Num_rotatable_bonds:	2
MolWt:	314.8	Num_heavy_atoms:	21
TPSA:	32.67	NumAromaticRings:	2