Glycoside
GD038552
Name:
(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triolFormula:
C15H16O5N3F3Smiles:
OC[C@H]1O[C@H](c2nnc(-c3ccc(C(F)(F)F)cc3)[nH]2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
FC(F)(F)c1ccc(-c2nnc[nH]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 375.3 | Num_heavy_atoms: | 26 |
| TPSA: | 131.72 | NumAromaticRings: | 2 |
Unique Aglycone
AD24052
Formula: C9H6N3F3
Smiles:
FC(F)(F)c1ccc(-c2nnc[nH]2)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 213.16 | Num_heavy_atoms: | 15 |
| TPSA: | 41.57 | NumAromaticRings: | 2 |
