Glycoside
GD038555
Name:
(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{h}-1,2,4-triazol-3-yl]oxane-3,4,5-triolFormula:
C15H19O6N3Smiles:
COc1ccc(-c2nc([C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)n[nH]2)cc1Aglycone:
COc1ccc(-c2ncn[nH]2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 337.33 | Num_heavy_atoms: | 24 |
| TPSA: | 140.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD24054
Formula: C9H9ON3
Smiles:
COc1ccc(-c2ncn[nH]2)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.48 | Num_rotatable_bonds: | 2 |
| MolWt: | 175.19 | Num_heavy_atoms: | 13 |
| TPSA: | 50.8 | NumAromaticRings: | 2 |
