GD011558

Name:

None

Formula:

C50H88O25

Smiles:

CCCCC[C@H](CCCCCCCCCC(=O)O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2OC(=O)[C@H](C)[C@H](C)O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](OC(=O)[C@H](C)[C@H](C)O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

CC(O)C(C)C(=O)O.CC(O)C(C)C(=O)O.CCCCCC(O)CCCCCCCCCC(=O)O

Sugarmoiety:

CC1OC(OCC2OC(O)C(OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3393820

AD02264

Formula: C5H10O3

Smiles:

CC(O)C(C)C(=O)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.8
AlogP:	0.09	Num_rotatable_bonds:	2
MolWt:	118.13	Num_heavy_atoms:	8
TPSA:	57.53	NumAromaticRings:	0

AD02342

Formula: C16H32O3

Smiles:

CCCCCC(O)CCCCCCCCCC(=O)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.94
AlogP:	4.52	Num_rotatable_bonds:	14
MolWt:	272.43	Num_heavy_atoms:	19
TPSA:	57.53	NumAromaticRings:	0