GD033499

Name:

None

Formula:

C21H35O13

Smiles:

C[C@@H]1O[C@H](O[C@@H]2CCCC[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H](C)C(=O)[O-])[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC(O)C(=O)[O-].OC1CCCCC1O

Sugarmoiety:

CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL409344

AD00489

Formula: C6H12O2

Smiles:

OC1CCCCC1O

HBA:	2	RingCount:	1
HBD:	2	FractionCSP3:	1.0
AlogP:	0.28	Num_rotatable_bonds:	0
MolWt:	116.16	Num_heavy_atoms:	8
TPSA:	40.46	NumAromaticRings:	0

AD20567

Formula: C3H5O3

Smiles:

CC(O)C(=O)[O-]

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	0.67
AlogP:	-1.88	Num_rotatable_bonds:	1
MolWt:	89.07	Num_heavy_atoms:	6
TPSA:	60.36	NumAromaticRings:	0