Glycoside
GD011927
Name:
8-(benzylsulfanyl)-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-oneFormula:
C17H18O5N4SSmiles:
OCC1OC(n2c(SCc3ccccc3)nc3c(O)ncnc32)C(O)C1OAglycone:
Oc1ncnc2c1N=C(SCc1ccccc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.42 | Num_heavy_atoms: | 27 |
| TPSA: | 133.75 | NumAromaticRings: | 3 |
Unique Aglycone
AD05552
Formula: C12H9ON4S
Smiles:
Oc1ncnc2c1N=C(SCc1ccccc1)[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 257.3 | Num_heavy_atoms: | 18 |
| TPSA: | 72.47 | NumAromaticRings: | 2 |
