GD037078

Name:

None

Formula:

C33H40O14S

Smiles:

CC=C1[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)OC=C(C(=O)OC)[C@H]1CC(=O)SCCc1ccccc1

Aglycone:

CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)SCCc1ccccc1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4176979

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

AD23381

Formula: C19H22O5S

Smiles:

CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)SCCc1ccccc1

HBA:	5	RingCount:	2
HBD:	1	FractionCSP3:	0.37
AlogP:	2.85	Num_rotatable_bonds:	6
MolWt:	362.45	Num_heavy_atoms:	25
TPSA:	72.83	NumAromaticRings:	1