GD118690

Name:

6-(3-{[2-({4,5-dihydroxy-6-[(3-hydroxy-2-octadecanamidooctadec-4-en-1-yl)oxy]-2-(hydroxymethyl)oxan-3-yl}oxy)-5-{[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-1,2-dihydroxypropyl)-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid

Formula:

C73H131O31N3

Smiles:

CCCCCCCCCCCCCC=CC(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3N=C(C)O)C(OCC(O)C(O)C3OC(O)(C(=O)O)CC(O)C3N=C(C)O)C2O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCCCC

Aglycone:

CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.CCCCCCCCCCCCCC=CC(O)C(CO)N=C(O)CCCCCCCCCCCCCCCCC

Sugarmoiety:

CC(O)=NC1C(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

• CNP0017933

AD44972

Formula: C11H19O9N

Smiles:

CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

HBA:	10	RingCount:	1
HBD:	7	FractionCSP3:	0.82
AlogP:	-3.03	Num_rotatable_bonds:	5
MolWt:	309.27	Num_heavy_atoms:	21
TPSA:	180.27	NumAromaticRings:	0

AD45243

Formula: C36H71O3N

Smiles:

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

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.92
AlogP:	11.18	Num_rotatable_bonds:	32
MolWt:	565.97	Num_heavy_atoms:	40
TPSA:	73.05	NumAromaticRings:	0