GD014667

Name:

None

Formula:

C38H52O21S2

Smiles:

CC(=O)O[C@@H]1[C@H](O)[C@H](SCC#Cc2ccc(C#CCS[C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cc2)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

SCC#Cc1ccc(C#CCS)cc1

Sugarmoiety:

CC(=O)OC1C(O)C(O)OC(CO)C1OC1OC(CO)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL444523

AD10761

Formula: C12H10S2

Smiles:

SCC#Cc1ccc(C#CCS)cc1

HBA:	0	RingCount:	1
HBD:	0	FractionCSP3:	0.17
AlogP:	2.25	Num_rotatable_bonds:	0
MolWt:	218.35	Num_heavy_atoms:	14
TPSA:	0.0	NumAromaticRings:	1