GD037050

Name:

None

Formula:

C28H38O14S

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)SCCC

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CHEMBL4174814

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

AD23366

Formula: C14H20O5S

Smiles:

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

HBA:	5	RingCount:	1
HBD:	1	FractionCSP3:	0.57
AlogP:	2.01	Num_rotatable_bonds:	5
MolWt:	300.38	Num_heavy_atoms:	20
TPSA:	72.83	NumAromaticRings:	0