GD112954

Name:

None

Formula:

C42H40O17

Smiles:

CC(=O)Oc1ccc(/C=C/C(=O)C[C@@H]2O[C@H](Oc3cc(OC(C)=O)c4c(c3)O[C@@H](c3ccc(OC(C)=O)cc3)CC4=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1

Aglycone:

CC(=O)C=Cc1ccc(OC(C)=O)cc1.CC(=O)Oc1ccc(C2CC(=O)c3c(OC(C)=O)cc(O)cc3O2)cc1

Sugarmoiety:

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

Other Identifiers

• ZINC000254003216

AD06438

Formula: C12H12O3

Smiles:

CC(=O)C=Cc1ccc(OC(C)=O)cc1

HBA:	3	RingCount:	1
HBD:	0	FractionCSP3:	0.17
AlogP:	2.21	Num_rotatable_bonds:	3
MolWt:	204.22	Num_heavy_atoms:	15
TPSA:	43.37	NumAromaticRings:	1

AD06439

Formula: C19H16O7

Smiles:

CC(=O)Oc1ccc(C2CC(=O)c3c(OC(C)=O)cc(O)cc3O2)cc1

HBA:	7	RingCount:	3
HBD:	1	FractionCSP3:	0.21
AlogP:	2.95	Num_rotatable_bonds:	3
MolWt:	356.33	Num_heavy_atoms:	26
TPSA:	99.13	NumAromaticRings:	2