GD108648

Name:

None

Formula:

C23H25O11NS2

Smiles:

CC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=C(/C)c3ccco3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CC(=C1SC(=S)NC1=O)c1ccco1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000005396027

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

AD44456

Formula: C9H7O2NS2

Smiles:

CC(=C1SC(=S)NC1=O)c1ccco1

HBA:	3	RingCount:	2
HBD:	1	FractionCSP3:	0.11
AlogP:	2.16	Num_rotatable_bonds:	1
MolWt:	225.29	Num_heavy_atoms:	14
TPSA:	42.24	NumAromaticRings:	1