Glycoside
GD125699
Name:
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-{[(naphthalen-1-yl)methyl]sulfanyl}-6,9-dihydro-1H-purin-6-oneFormula:
C21H21O5N5SSmiles:
N=c1nc(O)c2nc(SCc3cccc4ccccc34)n(C3OC(CO)C(O)C3O)c2[nH]1Aglycone:
N=c1nc(O)c2c([nH]1)[N]C(SCc1cccc3ccccc13)=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 1.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 455.5 | Num_heavy_atoms: | 32 |
| TPSA: | 160.5 | NumAromaticRings: | 4 |
Unique Aglycone
AD50844
Formula: C16H12ON5S
Smiles:
N=c1nc(O)c2c([nH]1)[N]C(SCc1cccc3ccccc13)=N2| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.37 | Num_heavy_atoms: | 23 |
| TPSA: | 99.22 | NumAromaticRings: | 3 |
