GD005305

Name:

None

Formula:

C44H54O27

Smiles:

O=C(CCC(=O)O[C@@H]1[C@H](O)[C@H](O)O[C@H](CO)[C@H]1O)Oc1ccc(C=Cc2cc(OC(=O)CCC(=O)O[C@@H]3[C@H](O)[C@H](O)O[C@H](CO)[C@H]3O)cc(OC(=O)CCC(=O)O[C@@H]3[C@H](O)[C@H](O)O[C@H](CO)[C@H]3O)c2)cc1

Aglycone:

O=C(O)CCC(=O)Oc1ccc(C=Cc2cc(OC(=O)CCC(=O)O)cc(OC(=O)CCC(=O)O)c2)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL1076307

AD04529

Formula: C26H24O12

Smiles:

O=C(O)CCC(=O)Oc1ccc(C=Cc2cc(OC(=O)CCC(=O)O)cc(OC(=O)CCC(=O)O)c2)cc1

HBA:	12	RingCount:	2
HBD:	3	FractionCSP3:	0.23
AlogP:	3.17	Num_rotatable_bonds:	14
MolWt:	528.47	Num_heavy_atoms:	38
TPSA:	190.8	NumAromaticRings:	2