Glycoside
GD038084
Name:
(2~{r},3~{r},4~{s},5~{s})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diolFormula:
C11H16O3N6SSmiles:
CSC[C@H]1O[C@H](n2cnc3c(N)nc(N)nc32)[C@H](O)[C@@H]1OAglycone:
Nc1nc(N)c2c(n1)[N]C=N2Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 312.36 | Num_heavy_atoms: | 21 |
| TPSA: | 145.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD01628
Formula: C5H5N6
Smiles:
Nc1nc(N)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.14 | Num_heavy_atoms: | 11 |
| TPSA: | 104.28 | NumAromaticRings: | 1 |
