Glycoside
GD040447
Name:
1-deoxy-1-{[(5s)-2,6-dioxo-5-(propanoylamino)-1,2,5,6-tetrahydropyrimidin-4-yl]amino}-d-ribitolFormula:
C12H20O7N4Smiles:
CCC(=O)N[C@@H]1C(=O)NC(=O)N=C1NC[C@@H](O)[C@@H](O)[C@@H](O)COAglycone:
CCC(=O)NC1C(=O)NC(=O)N=C1NCSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -3.81 | Num_rotatable_bonds: | 7 |
| MolWt: | 332.31 | Num_heavy_atoms: | 23 |
| TPSA: | 180.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD24770
Formula: C8H12O3N4
Smiles:
CCC(=O)NC1C(=O)NC(=O)N=C1NC| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 212.21 | Num_heavy_atoms: | 15 |
| TPSA: | 99.66 | NumAromaticRings: | 0 |
