GD108591

Name:

None

Formula:

C26H29O12NS2

Smiles:

COc1ccc(/C=C2/SC(=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)C2=O)c(OC)c1

Aglycone:

COC(C)=O.COc1ccc(C=C2SC(=S)NC2=O)c(OC)c1

Sugarmoiety:

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

Other Identifiers

• ZINC000254404029

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

AD44452

Formula: C12H11O3NS2

Smiles:

COc1ccc(C=C2SC(=S)NC2=O)c(OC)c1

HBA:	4	RingCount:	2
HBD:	1	FractionCSP3:	0.17
AlogP:	2.19	Num_rotatable_bonds:	3
MolWt:	281.36	Num_heavy_atoms:	18
TPSA:	47.56	NumAromaticRings:	1