GD037059

Name:

None

Formula:

C54H66O31

Smiles:

C[C@@H]1O[C@H](O[C@@H]2CO[C@H](Oc3c(O)cc(C4=C(O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](COC(=O)C=Cc6ccc(O)cc6)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)C(=O)c5c(O)cc(O)cc5C4)cc3O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

COC(=O)C=Cc1ccc(O)cc1.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

• CHEMBL3618494

AD00020

Formula: C10H10O3

Smiles:

COC(=O)C=Cc1ccc(O)cc1

HBA:	3	RingCount:	1
HBD:	1	FractionCSP3:	0.1
AlogP:	1.58	Num_rotatable_bonds:	2
MolWt:	178.19	Num_heavy_atoms:	13
TPSA:	46.53	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