Glycoside
GD039505
Name:
(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triolFormula:
C15H19O5N3Smiles:
Cc1ccc(-c2nnc([C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[nH]2)cc1Aglycone:
Cc1ccc(-c2nnc[nH]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.33 | Num_heavy_atoms: | 23 |
| TPSA: | 131.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD24429
Formula: C9H9N3
Smiles:
Cc1ccc(-c2nnc[nH]2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 159.19 | Num_heavy_atoms: | 12 |
| TPSA: | 41.57 | NumAromaticRings: | 2 |
