Glycoside
GD039506
Name:
(2~{r},3~{s},4~{r},5~{r},6~{s})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{h}-1,2,4-triazol-5-yl)oxane-3,4,5-triolFormula:
C18H19O5N3Smiles:
OC[C@H]1O[C@H](c2nc(-c3ccc4ccccc4c3)n[nH]2)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
c1ccc2cc(-c3nc[nH]n3)ccc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 357.37 | Num_heavy_atoms: | 26 |
| TPSA: | 131.72 | NumAromaticRings: | 3 |
Unique Aglycone
AD09983
Formula: C12H9N3
Smiles:
c1ccc2cc(-c3nc[nH]n3)ccc2c1| HBA: | 3 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 195.22 | Num_heavy_atoms: | 15 |
| TPSA: | 41.57 | NumAromaticRings: | 3 |
