GD110032

Name:

None

Formula:

C29H30O13

Smiles:

CC(=O)OC[C@H]1O[C@H](Oc2cc(OC(=O)c3ccccc3)ccc2C(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CC(=O)c1ccc(OC(=O)c2ccccc2)cc1O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000101131492

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD44610

Formula: C15H12O4

Smiles:

CC(=O)c1ccc(OC(=O)c2ccccc2)cc1O

HBA:	4	RingCount:	2
HBD:	1	FractionCSP3:	0.07
AlogP:	2.81	Num_rotatable_bonds:	3
MolWt:	256.26	Num_heavy_atoms:	19
TPSA:	63.6	NumAromaticRings:	2