Glycoside
GD038894
Name:
3-[6-azanyl-9-[(2~{r},3~{r},4~{s},5~{r})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylpropanoic acidFormula:
C13H16O5N8SSmiles:
[N-]=[N+]=NC[C@H]1O[C@H](n2c(SCCC(=O)O)nc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCCC(=O)O)[N]2Sugarmoiety:
[N-]=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 396.39 | Num_heavy_atoms: | 27 |
| TPSA: | 205.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD24172
Formula: C8H8O2N5S
Smiles:
Nc1ncnc2c1N=C(SCCC(=O)O)[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 3 |
| MolWt: | 238.25 | Num_heavy_atoms: | 16 |
| TPSA: | 115.56 | NumAromaticRings: | 1 |
