GD107525

Name:

None

Formula:

C36H40O21

Smiles:

CC(=O)OC[C@H]1O[C@@H](OC2=C(O)c3ccccc3C(=O)C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.O=C1C(=O)c2ccccc2C(O)=C1O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000085867291

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

AD32077

Formula: C10H6O4

Smiles:

O=C1C(=O)c2ccccc2C(O)=C1O

HBA:	4	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	1.24	Num_rotatable_bonds:	0
MolWt:	190.15	Num_heavy_atoms:	14
TPSA:	74.6	NumAromaticRings:	1