Glycoside
GD067661
Name:
4-benzyl-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H,3aH,4H,5H,7aH-[1,2,3]triazolo[4,5-b]pyridin-5-oneFormula:
C17H20O5N4Smiles:
O=C1C=C[C@@H]2[C@H](N=NN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)N1Cc1ccccc1Aglycone:
O=C1C=CC2NN=NC2N1Cc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.47 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.37 | Num_heavy_atoms: | 26 |
| TPSA: | 118.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD32218
Formula: C12H12ON4
Smiles:
O=C1C=CC2NN=NC2N1Cc1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.26 | Num_heavy_atoms: | 17 |
| TPSA: | 57.06 | NumAromaticRings: | 1 |
