GD109919

Name:

None

Formula:

C28H29O12NS

Smiles:

CC(=O)OC[C@@H]1O[C@H](COc2ccc3c(=O)c(-c4csc(C)n4)coc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.COc1ccc2c(=O)c(-c3csc(C)n3)coc2c1

Sugarmoiety:

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

Other Identifiers

• ZINC000252616153

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

AD44593

Formula: C14H11O3NS

Smiles:

COc1ccc2c(=O)c(-c3csc(C)n3)coc2c1

HBA:	4	RingCount:	3
HBD:	0	FractionCSP3:	0.14
AlogP:	3.23	Num_rotatable_bonds:	2
MolWt:	273.31	Num_heavy_atoms:	19
TPSA:	52.33	NumAromaticRings:	3