GD034510

Name:

None

Formula:

C32H36O12

Smiles:

COc1ccc(C=CC(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1OCc1ccccc1

Aglycone:

COC(C)=O.COc1ccc(C=CC(C)=O)cc1OCc1ccccc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3794420

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

AD21937

Formula: C18H18O3

Smiles:

COc1ccc(C=CC(C)=O)cc1OCc1ccccc1

HBA:	3	RingCount:	2
HBD:	0	FractionCSP3:	0.17
AlogP:	3.88	Num_rotatable_bonds:	6
MolWt:	282.34	Num_heavy_atoms:	21
TPSA:	35.53	NumAromaticRings:	2