GD014691

Name:

None

Formula:

C26H31O13N3S

Smiles:

CCc1c(OC(C)=O)c2c(NC3OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC(C)=O)nc(SC)nc2oc1=O

Aglycone:

CCc1c(OC(C)=O)c2c(N)nc(SC)nc2oc1=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1971155

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

AD10273

Formula: C12H13O4N3S

Smiles:

CCc1c(OC(C)=O)c2c(N)nc(SC)nc2oc1=O

HBA:	7	RingCount:	2
HBD:	2	FractionCSP3:	0.33
AlogP:	1.37	Num_rotatable_bonds:	3
MolWt:	295.32	Num_heavy_atoms:	20
TPSA:	108.31	NumAromaticRings:	2