GD124150

Name:

{[5-acetamido-3-({3-acetamido-5-[(3-acetamido-5-{[3-(hexadeca-2,9-dienamido)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-4,6-dihydroxyoxan-2-yl]methoxy}sulfonic acid

Formula:

C46H78O24N4S

Smiles:

CCCCCCC=CCCCCCC=CC(O)=NC1C(OC2C(CO)OC(OC3C(CO)OC(OC4C(COS(=O)(=O)O)OC(O)C(N=C(C)O)C4O)C(N=C(C)O)C3O)C(N=C(C)O)C2O)OC(CO)C(O)C1O

Aglycone:

CCCCCCC=CCCCCCC=CC(=N)O.COS(=O)(=O)O

Sugarmoiety:

CC(O)=NC1C(O)OC(O)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3N=C(C)O)C(O)C2N=C(C)O)C1O

Other Identifiers

• CNP0232796

AD00053

Formula: CH4O4S

Smiles:

COS(=O)(=O)O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-0.56	Num_rotatable_bonds:	1
MolWt:	112.11	Num_heavy_atoms:	6
TPSA:	63.6	NumAromaticRings:	0

AD50132

Formula: C16H29ON

Smiles:

CCCCCCC=CCCCCCC=CC(=N)O

HBA:	2	RingCount:	0
HBD:	2	FractionCSP3:	0.69
AlogP:	5.55	Num_rotatable_bonds:	12
MolWt:	251.41	Num_heavy_atoms:	18
TPSA:	44.08	NumAromaticRings:	0