Glycoside
GD038213
Name:
(1s)-1,5-anhydro-1-(5-phenyl-4h-1,2,4-triazol-3-yl)-d-glucitolFormula:
C14H17O5N3Smiles:
OC[C@H]1O[C@H](c2nnc(-c3ccccc3)[nH]2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
c1ccc(-c2nnc[nH]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 307.31 | Num_heavy_atoms: | 22 |
| TPSA: | 131.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD23906
Formula: C8H7N3
Smiles:
c1ccc(-c2nnc[nH]2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 145.17 | Num_heavy_atoms: | 11 |
| TPSA: | 41.57 | NumAromaticRings: | 2 |
