Glycoside
GD151872
Name:
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(2-phenylethyl)sulfanyl]-6,9-dihydro-1H-purin-6-oneFormula:
C18H21O5N5SSmiles:
N=c1nc(O)c2nc(SCCc3ccccc3)n(C3OC(CO)C(O)C3O)c2[nH]1Aglycone:
N=c1nc(O)c2c([nH]1)[N]C(SCCc1ccccc1)=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 6 |
| MolWt: | 419.46 | Num_heavy_atoms: | 29 |
| TPSA: | 160.5 | NumAromaticRings: | 3 |
Unique Aglycone
AD60523
Formula: C13H12ON5S
Smiles:
N=c1nc(O)c2c([nH]1)[N]C(SCCc1ccccc1)=N2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.15 |
| AlogP: | 1.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.34 | Num_heavy_atoms: | 20 |
| TPSA: | 99.22 | NumAromaticRings: | 2 |
