GD030564

Name:

4-{[3,5-bis(acetyloxy)-4-{[3-(acetyloxy)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-{[6-(dodecyloxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-5-hydroxy-2-methyloxan-3-yl acetate

Formula:

C44H74O21

Smiles:

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

Aglycone:

CCCCCCCCCCCCO

Sugarmoiety:

CC(=O)OC1C(OC2C(OC(C)=O)C(C)OC(OC3C(O)C(OC4C(C)OC(O)C(O)C4O)OC(C)C3OC(C)=O)C2OC(C)=O)OC(C)C(O)C1O

Other Identifiers

• CHEMBL2204988
• CNP0331971

AD00833

Formula: C12H26O

Smiles:

CCCCCCCCCCCCO

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	3.9	Num_rotatable_bonds:	10
MolWt:	186.34	Num_heavy_atoms:	13
TPSA:	20.23	NumAromaticRings:	0