Glycoside
GD039500
Name:
(2~{s},3~{r},4~{s},5~{s},6~{r})-2-[(2~{s},3~{r},4~{s},5~{r},6~{r})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C20H26O9N3FSSmiles:
OC[C@H]1O[C@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](n3cc(-c4ccccc4F)nn3)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
OCC1OC(S)C(O)C(n2cc(-c3ccccc3F)nn2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -2.4 | Num_rotatable_bonds: | 6 |
| MolWt: | 503.51 | Num_heavy_atoms: | 34 |
| TPSA: | 190.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD24428
Formula: C14H16O4N3FS
Smiles:
OCC1OC(S)C(O)C(n2cc(-c3ccccc3F)nn2)C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 341.36 | Num_heavy_atoms: | 23 |
| TPSA: | 100.63 | NumAromaticRings: | 2 |
