GD141666

Name:

2-[(2-{[6-amino-1-hydroxy-2-({hydroxy[4-({4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-(sulfooxy)oxan-2-yl}oxy)-5-(hydroxymethyl)pyrrolidin-2-yl]methylidene}amino)hexylidene]amino}-3-({4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl}oxy)-1-hydroxybutylidene)amino]-3-hydroxypropanoic acid

Formula:

C35H61O22N7S

Smiles:

CC(O)=NC1C(OC(C)C(N=C(O)C(CCCCN)N=C(O)C2CC(OC3OC(CO)C(OS(=O)(=O)O)C(O)C3N=C(C)O)C(CO)N2)C(O)=NC(CO)C(=O)O)OC(CO)C(O)C1O

Aglycone:

CC(O)C(N=C(O)C(CCCCN)N=C(O)C1CC(O)C(CO)N1)C(O)=NC(CO)C(=O)O.O=S(=O)(O)O

Sugarmoiety:

CC(O)=NC1C(O)OC(CO)C(O)C1O.CC(O)=NC1C(O)OC(CO)C(O)C1O

Other Identifiers

• CNP0337098

AD00034

Formula: H2O4S

Smiles:

O=S(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	98.08	Num_heavy_atoms:	5
TPSA:	74.6	NumAromaticRings:	0

AD57057

Formula: C19H35O9N5

Smiles:

CC(O)C(N=C(O)C(CCCCN)N=C(O)C1CC(O)C(CO)N1)C(O)=NC(CO)C(=O)O

HBA:	14	RingCount:	1
HBD:	11	FractionCSP3:	0.79
AlogP:	-2.37	Num_rotatable_bonds:	14
MolWt:	477.52	Num_heavy_atoms:	33
TPSA:	254.04	NumAromaticRings:	0