GD036175

Name:

None

Formula:

C40H46O20S

Smiles:

CC(=O)OC[C@@H]1O[C@H](Oc2ccc(Sc3ccc(O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)cc3)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.Oc1ccc(Sc2ccc(O)cc2)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL4581294

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

AD17686

Formula: C12H10O2S

Smiles:

Oc1ccc(Sc2ccc(O)cc2)cc1

HBA:	2	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	3.25	Num_rotatable_bonds:	2
MolWt:	218.28	Num_heavy_atoms:	15
TPSA:	40.46	NumAromaticRings:	2