GD135064

Name:

2-{6-amino-6-carbamoyl-2-[4-carbamoyl-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]hexanamido}propanoic acid

Formula:

C37H63O19N9

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(=N)O)C(O)=NC(C)C(=O)O)C(=N)O)OC(CO)C(O)C1O

Aglycone:

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

Sugarmoiety:

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

Other Identifiers

• CNP0140948

AD54626

Formula: C21H37O9N7

Smiles:

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

HBA:	16	RingCount:	0
HBD:	12	FractionCSP3:	0.67
AlogP:	1.14	Num_rotatable_bonds:	17
MolWt:	531.57	Num_heavy_atoms:	37
TPSA:	302.07	NumAromaticRings:	0