GD145846

Name:

2-({2-[(4,5-dihydroxy-6-{[3-hydroxy-2-(tetracos-15-enamido)octadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl)oxy]-5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Formula:

C73H131O26N3

Smiles:

CCCCCCCCC=CCCCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3N=C(C)O)C(OC3(C(=O)O)CC(O)C(N=C(C)O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC

Aglycone:

CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO.CCCCCCCCC=CCCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCC

Sugarmoiety:

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

Other Identifiers

• CNP0348339

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

AD47285

Formula: C42H81O3N

Smiles:

CCCCCCCCC=CCCCCCCCCCCCCCC(O)=NC(CO)C(O)C=CCCCCCCCCCCCCC

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.88
AlogP:	13.3	Num_rotatable_bonds:	37
MolWt:	648.11	Num_heavy_atoms:	46
TPSA:	73.05	NumAromaticRings:	0