Glycoside

GD158266
Name:
[(2-{[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}methoxy)phosphinic acidFormula:
C25H37O16N6PSmiles:
N=c1ccn(C2CC(O)C(COCOP(=O)(O)OC3C(O)C(CO)OC(OCC4OC(n5ccc(=N)nc5O)CC4O)C3O)O2)c(O)n1Aglycone:
N=c1ccn(C2CC(O)C(CO)O2)c(O)n1.N=c1ccn(C2CC(O)C(COCOP(=O)(O)O)O2)c(O)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 22 | RingCount: | 5 |
HBD: | 10 | FractionCSP3: | 0.68 |
AlogP: | -3.62 | Num_rotatable_bonds: | 13 |
MolWt: | 708.57 | Num_heavy_atoms: | 48 |
TPSA: | 326.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD55977
Formula: C10H16O8N3P
Smiles:
N=c1ccn(C2CC(O)C(COCOP(=O)(O)O)O2)c(O)n1HBA: | 11 | RingCount: | 2 |
HBD: | 5 | FractionCSP3: | 0.6 |
AlogP: | -1.2 | Num_rotatable_bonds: | 6 |
MolWt: | 337.22 | Num_heavy_atoms: | 22 |
TPSA: | 167.35 | NumAromaticRings: | 1 |
AD60067
Formula: C9H13O4N3
Smiles:
N=c1ccn(C2CC(O)C(CO)O2)c(O)n1HBA: | 7 | RingCount: | 2 |
HBD: | 4 | FractionCSP3: | 0.56 |
AlogP: | -1.29 | Num_rotatable_bonds: | 2 |
MolWt: | 227.22 | Num_heavy_atoms: | 16 |
TPSA: | 111.59 | NumAromaticRings: | 1 |