GD130180

Name:

[3-(carbamoyloxy)-6-{[5-acetamido-6-({5-acetamido-6-[(5-acetamido-6-{[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl}oxy)-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-5-(N-methylhexadecanamido)oxan-2-yl]methyl carbamate

Formula:

C57H99O28N7

Smiles:

CCCCCCCCCCCCCCCC(=O)N(C)C1C(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(O)C(N=C(C)O)C5O)C(N=C(C)O)C4O)C(N=C(C)O)C3O)C(N=C(C)O)C2O)OC(COC(=N)O)C(OC(=N)O)C1O

Aglycone:

CCCCCCCCCCCCCCCC(=O)NC.COC(=N)O

Sugarmoiety:

CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(O)C(OC(=N)O)C(O)C5O)C(O)C4N=C(C)O)C(O)C3N=C(C)O)C(O)C2N=C(C)O)C1O

Other Identifiers

• CNP0198854

AD01548

Formula: C17H35ON

Smiles:

CCCCCCCCCCCCCCCC(=O)NC

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.94
AlogP:	5.21	Num_rotatable_bonds:	14
MolWt:	269.47	Num_heavy_atoms:	19
TPSA:	29.1	NumAromaticRings:	0

AD49182

Formula: C2H5O2N

Smiles:

COC(=N)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.5
AlogP:	0.13	Num_rotatable_bonds:	0
MolWt:	75.07	Num_heavy_atoms:	5
TPSA:	53.31	NumAromaticRings:	0