Glycoside
GD038899
Name:
[(2~{r},3~{s},4~{r},5~{r})-5-[6-azanyl-8-(2-hydroxy-2-oxoethylsulfanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino-azanylidene-azaniumFormula:
C12H15O5N8SSmiles:
N=[N+]=NC[C@H]1O[C@H](n2c(SCC(=O)O)nc3c(N)ncnc32)[C@@H](O)[C@H]1OAglycone:
Nc1ncnc2c1N=C(SCC(=O)O)[N]2Sugarmoiety:
N=[N+]=NCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 6 |
| MolWt: | 383.37 | Num_heavy_atoms: | 26 |
| TPSA: | 206.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD24175
Formula: C7H6O2N5S
Smiles:
Nc1ncnc2c1N=C(SCC(=O)O)[N]2| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 0.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.22 | Num_heavy_atoms: | 15 |
| TPSA: | 115.56 | NumAromaticRings: | 1 |
