Glycoside
GD040347
Name:
1-[(5e)-5,6-dideoxy-2-o-methyl-6-phosphono-beta-d-ribo-hex-5-enofuranosyl]-2,4-dihydroxypyrimidin-1-iumFormula:
C11H16O8N2PSmiles:
CO[C@@H]1[C@@H](O)[C@@H](C=CP(=O)(O)O)O[C@H]1[n+]1ccc(O)nc1OAglycone:
C=CP(=O)(O)O.Oc1cc[nH+]c(O)n1Sugarmoiety:
COC1C(O)OC(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 335.23 | Num_heavy_atoms: | 22 |
| TPSA: | 153.45 | NumAromaticRings: | 1 |
Unique Aglycone
AD13039
Formula: C2H5O3P
Smiles:
C=CP(=O)(O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.03 | Num_heavy_atoms: | 6 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD24729
Formula: C4H5O2N2
Smiles:
Oc1cc[nH+]c(O)n1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 0 |
| MolWt: | 113.1 | Num_heavy_atoms: | 8 |
| TPSA: | 67.49 | NumAromaticRings: | 1 |
