Glycoside
GD116159
Name:
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(piperazin-1-yl)-6,9-dihydro-1H-purin-6-oneFormula:
C14H20O5N6Smiles:
OCC1OC(n2c(N3CCNCC3)nc3c(O)ncnc32)C(O)C1OAglycone:
Oc1ncnc2c1N=C(N1CCNCC1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 352.35 | Num_heavy_atoms: | 25 |
| TPSA: | 149.02 | NumAromaticRings: | 2 |
Unique Aglycone
AD46083
Formula: C9H11ON6
Smiles:
Oc1ncnc2c1N=C(N1CCNCC1)[N]2| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 0 |
| MolWt: | 219.23 | Num_heavy_atoms: | 16 |
| TPSA: | 87.74 | NumAromaticRings: | 1 |
