GD005220

Name:

4-{[3,5-bis(acetyloxy)-4-{[5-(acetyloxy)-3-hydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-5-hydroxy-2-methyl-6-(octyloxy)oxan-3-yl hexanoate

Formula:

C44H74O21

Smiles:

CCCCCCCCO[C@@H]1O[C@H](C)[C@H](OC(=O)CCCCC)[C@H](O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H]2OC(C)=O)[C@H]1O

Aglycone:

CCCCCC(=O)O.CCCCCCCCO

Sugarmoiety:

CC(=O)OC1C(C)OC(OC2C(OC(C)=O)C(C)OC(OC3C(O)C(C)OC(O)C3O)C2OC(C)=O)C(O)C1OC1OC(C)C(O)C(O)C1O

Other Identifiers

• CHEMBL3589570
• CNP0171222

AD00023

Formula: C8H18O

Smiles:

CCCCCCCCO

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	2.34	Num_rotatable_bonds:	6
MolWt:	130.23	Num_heavy_atoms:	9
TPSA:	20.23	NumAromaticRings:	0

AD00130

Formula: C6H12O2

Smiles:

CCCCCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.83
AlogP:	1.65	Num_rotatable_bonds:	4
MolWt:	116.16	Num_heavy_atoms:	8
TPSA:	37.3	NumAromaticRings:	0