Glycoside
GD038554
Name:
(1s)-1,5-anhydro-1-(3-{4-[hydroxy(oxo)azaniumyl]phenyl}-1h-1,2,4-triazol-5-yl)-d-glucitolFormula:
C14H17O7N4Smiles:
O=[N+](O)c1ccc(-c2n[nH]c([C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)n2)cc1Aglycone:
O=[N+](O)c1ccc(-c2nc[nH]n2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 353.31 | Num_heavy_atoms: | 25 |
| TPSA: | 172.03 | NumAromaticRings: | 2 |
Unique Aglycone
AD24053
Formula: C8H7O2N4
Smiles:
O=[N+](O)c1ccc(-c2nc[nH]n2)cc1| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.17 | Num_heavy_atoms: | 14 |
| TPSA: | 81.88 | NumAromaticRings: | 2 |
