GD010814

Name:

None

Formula:

C29H28O16

Smiles:

CC(=O)OC[C@@H]1O[C@H](Oc2cc(-c3oc4cc(O)cc(O)c4c(=O)c3O)ccc2O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

Sugarmoiety:

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

Other Identifiers

• CHEMBL1222351

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

AD00377

Formula: C15H10O7

Smiles:

O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

HBA:	7	RingCount:	3
HBD:	5	FractionCSP3:	0.0
AlogP:	1.99	Num_rotatable_bonds:	1
MolWt:	302.24	Num_heavy_atoms:	22
TPSA:	131.36	NumAromaticRings:	3