GD037411

Name:

None

Formula:

C31H42O16

Smiles:

CC=C1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OC[C@@H]1O[C@H](OCCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OC.OCCc1ccccc1

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4751245

AD00027

Formula: C8H10O

Smiles:

OCCc1ccccc1

HBA:	1	RingCount:	1
HBD:	1	FractionCSP3:	0.25
AlogP:	1.22	Num_rotatable_bonds:	2
MolWt:	122.17	Num_heavy_atoms:	9
TPSA:	20.23	NumAromaticRings:	1

AD02763

Formula: C12H16O6

Smiles:

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

HBA:	6	RingCount:	1
HBD:	1	FractionCSP3:	0.5
AlogP:	0.52	Num_rotatable_bonds:	3
MolWt:	256.25	Num_heavy_atoms:	18
TPSA:	82.06	NumAromaticRings:	0