GD108011

Name:

None

Formula:

C27H28O13

Smiles:

CC(=O)OC[C@@H]1O[C@@H](Oc2cc(OC(=O)c3ccccc3)cc(O)c2C(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CC(=O)c1c(O)cc(OC(=O)c2ccccc2)cc1O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000004565926

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

AD44383

Formula: C15H12O5

Smiles:

CC(=O)c1c(O)cc(OC(=O)c2ccccc2)cc1O

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.07
AlogP:	2.52	Num_rotatable_bonds:	3
MolWt:	272.26	Num_heavy_atoms:	20
TPSA:	83.83	NumAromaticRings:	2