Glycoside
GD009464
Name:
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-sulfanyl-6,9-dihydro-1H-purin-6-oneFormula:
C10H12O5N4SSmiles:
OC[C@@H]1OC(n2c(S)nc3c(O)ncnc32)[C@H](O)[C@H]1OAglycone:
Oc1ncnc2c1N=C(S)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | -1.57 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.3 | Num_heavy_atoms: | 20 |
| TPSA: | 133.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD07416
Formula: C5H3ON4S
Smiles:
Oc1ncnc2c1N=C(S)[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 0 |
| MolWt: | 167.17 | Num_heavy_atoms: | 11 |
| TPSA: | 72.47 | NumAromaticRings: | 1 |
