GD109216

Name:

None

Formula:

C26H30O10N2S

Smiles:

CC(=O)OC[C@@H]1O[C@H](SC2=NC(=C(C)C)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(C)=C1N=C(S)N(c2ccccc2)C1=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000252617553

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

AD04158

Formula: C12H12ON2S

Smiles:

CC(C)=C1N=C(S)N(c2ccccc2)C1=O

HBA:	3	RingCount:	2
HBD:	0	FractionCSP3:	0.17
AlogP:	2.61	Num_rotatable_bonds:	1
MolWt:	232.31	Num_heavy_atoms:	16
TPSA:	32.67	NumAromaticRings:	1