GD109185

Name:

None

Formula:

C27H31O12NS

Smiles:

CC(=O)OC[C@H]1O[C@@H](COc2ccc(C(=O)Cc3csc(C)n3)c(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.COc1ccc(C(=O)Cc2csc(C)n2)c(O)c1

Sugarmoiety:

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

Other Identifiers

• ZINC000101124055

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

AD38923

Formula: C13H13O3NS

Smiles:

COc1ccc(C(=O)Cc2csc(C)n2)c(O)c1

HBA:	4	RingCount:	2
HBD:	1	FractionCSP3:	0.23
AlogP:	2.59	Num_rotatable_bonds:	4
MolWt:	263.32	Num_heavy_atoms:	18
TPSA:	59.42	NumAromaticRings:	2