GD000415

Name:

None

Formula:

C31H34O15

Smiles:

CC(=O)OCC1OC(c2c(OC(C)=O)cc(C)c3c(=O)cc(C(C(C)=O)=C(C)O)oc23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)Oc1cc(C)c2c(=O)cc(C(C(C)=O)=C(C)O)oc2c1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1989080

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

AD00464

Formula: C17H16O6

Smiles:

CC(=O)Oc1cc(C)c2c(=O)cc(C(C(C)=O)=C(C)O)oc2c1

HBA:	6	RingCount:	2
HBD:	1	FractionCSP3:	0.24
AlogP:	2.9	Num_rotatable_bonds:	3
MolWt:	316.31	Num_heavy_atoms:	23
TPSA:	93.81	NumAromaticRings:	2