GD032448

Name:

None

Formula:

C24H30O15

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)O)[C@H]1CC(=O)O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CHEMBL4166798

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

AD06074

Formula: C10H12O6

Smiles:

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

HBA:	6	RingCount:	1
HBD:	3	FractionCSP3:	0.4
AlogP:	0.34	Num_rotatable_bonds:	3
MolWt:	228.2	Num_heavy_atoms:	16
TPSA:	104.06	NumAromaticRings:	0