GD099971

Name:

None

Formula:

C20H23O8N3S

Smiles:

CC(=O)O[C@H]1[C@@H](COC(=O)C2=CN(C)C=CC2)O[C@H](c2nc(C(N)=O)cs2)[C@@H]1OC(C)=O

Aglycone:

COC(=O)C1=CN(C)C=CC1.NC(=O)c1cscn1

Sugarmoiety:

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

Other Identifiers

• ZINC000005521045

AD00051

Formula: C4H4ON2S

Smiles:

NC(=O)c1cscn1

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	0.24	Num_rotatable_bonds:	1
MolWt:	128.16	Num_heavy_atoms:	8
TPSA:	55.98	NumAromaticRings:	1

AD42326

Formula: C8H11O2N

Smiles:

COC(=O)C1=CN(C)C=CC1

HBA:	3	RingCount:	1
HBD:	0	FractionCSP3:	0.38
AlogP:	0.89	Num_rotatable_bonds:	1
MolWt:	153.18	Num_heavy_atoms:	11
TPSA:	29.54	NumAromaticRings:	0