Glycoside
GD039314
Name:
(2~{r},3~{s},4~{s},5~{r},6~{s})-2-(hydroxymethyl)-6-[(2~{s},3~{r},4~{s},5~{r},6~{r})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triolFormula:
C20H27O9N3SSmiles:
OC[C@H]1O[C@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](n3cc(-c4ccccc4)nn3)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
OCC1OC(S)C(O)C(n2cc(-c3ccccc3)nn2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.6 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 485.52 | Num_heavy_atoms: | 33 |
| TPSA: | 190.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD24347
Formula: C14H17O4N3S
Smiles:
OCC1OC(S)C(O)C(n2cc(-c3ccccc3)nn2)C1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 3 |
| MolWt: | 323.37 | Num_heavy_atoms: | 22 |
| TPSA: | 100.63 | NumAromaticRings: | 2 |
