GD019519

Name:

None

Formula:

C25H26O13N2S

Smiles:

CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1NC(=S)NC(=O)C1=Cc1ccc(O)c(O)c1

Sugarmoiety:

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

Other Identifiers

• CHEMBL557111

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

AD13619

Formula: C11H8O4N2S

Smiles:

O=C1NC(=S)NC(=O)C1=Cc1ccc(O)c(O)c1

HBA:	6	RingCount:	2
HBD:	4	FractionCSP3:	0.0
AlogP:	0.01	Num_rotatable_bonds:	1
MolWt:	264.26	Num_heavy_atoms:	18
TPSA:	98.66	NumAromaticRings:	1