GD116717

Name:

2-amino-6-[4-carboxy-4-(2-{2-[(3-acetamido-5-{[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-hydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]propanamido}propanamido)butanamido]-6-[(1-carboxyethyl)carbamoyl]hexanoic acid

Formula:

C37H61O21N7

Smiles:

CC(O)=NC1C(OC2C(CO)OC(O)C(N=C(C)O)C2OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(O)=NC(C)C(=O)O)C(=O)O)OC(CO)C(O)C1O

Aglycone:

CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(O)=NC(C)C(=O)O)C(=O)O

Sugarmoiety:

CC(O)=NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N=C(C)O)C1O

Other Identifiers

• CNP0065691

AD46402

Formula: C21H35O11N5

Smiles:

CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=O)O)C(O)=NC(C)C(=O)O)C(=O)O

HBA:	16	RingCount:	0
HBD:	10	FractionCSP3:	0.67
AlogP:	0.24	Num_rotatable_bonds:	17
MolWt:	533.54	Num_heavy_atoms:	37
TPSA:	288.51	NumAromaticRings:	0