GD036884

Name:

None

Formula:

C58H68O32

Smiles:

CC(=O)c1c(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(O)c([C@@H]2O[C@H](COC(=O)[C@H]3[C@H](C(=O)OC[C@@H]4O[C@H](c5c(O)c(C(C)=O)c(O)c([C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)c5O)[C@H](O)[C@H](O)[C@H]4O)[C@@H](c4ccc(O)cc4)[C@H]3c3ccc(O)cc3)[C@H](O)[C@H](O)[C@H]2O)c1O

Aglycone:

CC(=O)c1c(O)cc(O)cc1O.CC(=O)c1c(O)cc(O)cc1O.COC(=O)C1C(C(=O)OC)C(c2ccc(O)cc2)C1c1ccc(O)cc1

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4454069

AD05020

Formula: C8H8O4

Smiles:

CC(=O)c1c(O)cc(O)cc1O

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	0.12
AlogP:	1.01	Num_rotatable_bonds:	1
MolWt:	168.15	Num_heavy_atoms:	12
TPSA:	77.76	NumAromaticRings:	1

AD05145

Formula: C20H20O6

Smiles:

COC(=O)C1C(C(=O)OC)C(c2ccc(O)cc2)C1c1ccc(O)cc1

HBA:	6	RingCount:	3
HBD:	2	FractionCSP3:	0.3
AlogP:	2.56	Num_rotatable_bonds:	4
MolWt:	356.37	Num_heavy_atoms:	26
TPSA:	93.06	NumAromaticRings:	2