GD108401

Name:

None

Formula:

C24H30O12

Smiles:

CC(=O)OC[C@H](OC(C)=O)[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=O)OCCOC(C)=O.OCc1ccccc1

Sugarmoiety:

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

Other Identifiers

• ZINC000005339420

AD00044

Formula: C7H8O

Smiles:

OCc1ccccc1

HBA:	1	RingCount:	1
HBD:	1	FractionCSP3:	0.14
AlogP:	1.18	Num_rotatable_bonds:	1
MolWt:	108.14	Num_heavy_atoms:	8
TPSA:	20.23	NumAromaticRings:	1

AD05458

Formula: C6H10O4

Smiles:

CC(=O)OCCOC(C)=O

HBA:	4	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.11	Num_rotatable_bonds:	3
MolWt:	146.14	Num_heavy_atoms:	10
TPSA:	52.6	NumAromaticRings:	0