Glycoside
GD132482
Name:
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(3-phenylprop-2-en-1-yl)sulfanyl]-6,9-dihydro-1H-purin-6-oneFormula:
C19H21O5N5SSmiles:
N=c1nc(O)c2nc(SCC=Cc3ccccc3)n(C3OC(CO)C(O)C3O)c2[nH]1Aglycone:
N=c1nc(O)c2c([nH]1)[N]C(SCC=Cc1ccccc1)=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 431.47 | Num_heavy_atoms: | 30 |
| TPSA: | 160.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD53646
Formula: C14H12ON5S
Smiles:
N=c1nc(O)c2c([nH]1)[N]C(SCC=Cc1ccccc1)=N2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.07 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 298.35 | Num_heavy_atoms: | 21 |
| TPSA: | 99.22 | NumAromaticRings: | 2 |
