Glycoside
GD038556
Name:
(1s)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1h-1,2,4-triazol-5-yl]-d-glucitolFormula:
C14H17O6N3Smiles:
OC[C@H]1O[C@H](c2nc(-c3ccc(O)cc3)n[nH]2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
Oc1ccc(-c2nc[nH]n2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 323.31 | Num_heavy_atoms: | 23 |
| TPSA: | 151.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD04966
Formula: C8H7ON3
Smiles:
Oc1ccc(-c2nc[nH]n2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 61.8 | NumAromaticRings: | 2 |
