Glycoside
GD038558
Name:
(2~{s},3~{r},4~{r},5~{s},6~{r})-2-[5-(4-aminophenyl)-4~{h}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C14H18O5N4Smiles:
Nc1ccc(-c2nnc([C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[nH]2)cc1Aglycone:
Nc1ccc(-c2nnc[nH]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 322.32 | Num_heavy_atoms: | 23 |
| TPSA: | 157.74 | NumAromaticRings: | 2 |
Unique Aglycone
AD24055
Formula: C8H8N4
Smiles:
Nc1ccc(-c2nnc[nH]2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.18 | Num_heavy_atoms: | 12 |
| TPSA: | 67.59 | NumAromaticRings: | 2 |
