GD141607

Name:

N-{1-[(5-{[5-({4-[(3-acetamido-4-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-hydroxyoctadec-4-en-2-yl}tetracosanamide

Formula:

C76H139O28N3

Smiles:

CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5N=C(C)O)C4N=C(C)O)C3O)C(O)C2O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCCCCCCCCCC

Aglycone:

CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCCC

Sugarmoiety:

CC(O)=NC1C(OC2C(O)C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(O)C5O)C(O)C4O)C3O)C2N=C(C)O)OC(CO)C(O)C1O

Other Identifiers

• CNP0033340

AD46411

Formula: C42H83O3N

Smiles:

CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCCCCCCCC

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.93
AlogP:	13.52	Num_rotatable_bonds:	38
MolWt:	650.13	Num_heavy_atoms:	46
TPSA:	73.05	NumAromaticRings:	0