GD037281

Name:

None

Formula:

C27H31O12N3S

Smiles:

COc1cccc2cc(C(C)=NNC(=S)N[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(=O)oc12

Aglycone:

COC(C)=O.COc1cccc2cc(C(C)=NNC(N)=S)c(=O)oc12

Sugarmoiety:

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

Other Identifiers

• CHEMBL4740524

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

AD23497

Formula: C13H13O3N3S

Smiles:

COc1cccc2cc(C(C)=NNC(N)=S)c(=O)oc12

HBA:	6	RingCount:	2
HBD:	3	FractionCSP3:	0.15
AlogP:	1.36	Num_rotatable_bonds:	3
MolWt:	291.33	Num_heavy_atoms:	20
TPSA:	89.85	NumAromaticRings:	2