GD010129

Name:

None

Formula:

C55H68O32

Smiles:

COc1cc(C=CC(=O)OC[C@@H]2O[C@H](O[C@@H]3[C@H](OC4=C(c5cc(O)c(O[C@@H]6OC[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)c(O)c5)Cc5cc(O)cc(O)c5C4=O)O[C@H](C)[C@H](O)[C@H]3O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)ccc1O

Aglycone:

COC(=O)C=Cc1ccc(O)c(OC)c1.O=C1C(O)=C(c2cc(O)c(O)c(O)c2)Cc2cc(O)cc(O)c21

Sugarmoiety:

CC1OC(O)C(OC2OC(O)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O.CC1OC(OC2COC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3618495

AD00132

Formula: C11H12O4

Smiles:

COC(=O)C=Cc1ccc(O)c(OC)c1

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.18
AlogP:	1.59	Num_rotatable_bonds:	3
MolWt:	208.21	Num_heavy_atoms:	15
TPSA:	55.76	NumAromaticRings:	1

AD07867

Formula: C16H12O7

Smiles:

O=C1C(O)=C(c2cc(O)c(O)c(O)c2)Cc2cc(O)cc(O)c21

HBA:	7	RingCount:	3
HBD:	6	FractionCSP3:	0.06
AlogP:	1.92	Num_rotatable_bonds:	1
MolWt:	316.27	Num_heavy_atoms:	23
TPSA:	138.45	NumAromaticRings:	2