Glycoside
GD125184
Name:
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(4-methylpiperazin-1-yl)-6,9-dihydro-1H-purin-6-oneFormula:
C15H23O5N7Smiles:
CN1CCN(c2nc3c(O)nc(=N)[nH]c3n2C2OC(CO)C(O)C2O)CC1Aglycone:
CN1CCN(C2=Nc3c(O)nc(=N)[nH]c3[N]2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 381.39 | Num_heavy_atoms: | 27 |
| TPSA: | 166.98 | NumAromaticRings: | 2 |
Unique Aglycone
AD50618
Formula: C10H14ON7
Smiles:
CN1CCN(C2=Nc3c(O)nc(=N)[nH]c3[N]2)CC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | -0.92 | Num_rotatable_bonds: | 0 |
| MolWt: | 248.27 | Num_heavy_atoms: | 18 |
| TPSA: | 105.7 | NumAromaticRings: | 1 |
