GD118273

Name:

11-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-({[5-({3,5-dihydroxy-6-methyl-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}methyl)-4,5-dihydroxyoxan-2-yl)oxy]-3-hydroxytetradecanoic acid

Formula:

C49H86O30

Smiles:

CCCC(CCCCCCCC(O)CC(=O)O)OC1OC(COC2OC(C)C(OC3OC(C)C(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O

Aglycone:

CCCC(O)CCCCCCCC(O)CC(=O)O

Sugarmoiety:

CC1OC(OC2C(O)C(C)OC(OC3C(C)OC(OCC4OC(O)C(OC5OC(CO)C(O)C(O)C5OC5OCC(O)C(O)C5O)C(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CNP0422403

AD45010

Formula: C14H28O4

Smiles:

CCCC(O)CCCCCCCC(O)CC(=O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.93
AlogP:	2.71	Num_rotatable_bonds:	12
MolWt:	260.37	Num_heavy_atoms:	18
TPSA:	77.76	NumAromaticRings:	0