GD126126

Name:

5-acetamido-2-[(2-{[5-acetamido-2-(hydroxymethyl)-6-[(2,4,5,6-tetrahydroxy-1-oxohexan-3-yl)oxy]-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Formula:

C37H62O28N2

Smiles:

CC(O)=NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(CO)OC(OC(C(O)C=O)C(O)C(O)CO)C(N=C(C)O)C3OC3OC(C)C(O)C(O)C3O)C2O)(C(=O)O)OC1C(O)C(O)CO

Aglycone:

CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO

Sugarmoiety:

CC(O)=NC1C(OC(C(O)C=O)C(O)C(O)CO)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O

Other Identifiers

• CNP0041280

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