Glycoside
GD117032
Name:
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(3-phenylpyrrolidin-1-yl)-6,9-dihydro-1H-purin-6-oneFormula:
C20H23O5N5Smiles:
OCC1OC(n2c(N3CCC(c4ccccc4)C3)nc3c(O)ncnc32)C(O)C1OAglycone:
Oc1ncnc2c1N=C(N1CCC(c3ccccc3)C1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.45 |
| AlogP: | 0.14 | Num_rotatable_bonds: | 4 |
| MolWt: | 413.43 | Num_heavy_atoms: | 30 |
| TPSA: | 136.99 | NumAromaticRings: | 3 |
Unique Aglycone
AD46591
Formula: C15H14ON5
Smiles:
Oc1ncnc2c1N=C(N1CCC(c3ccccc3)C1)[N]2| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 280.31 | Num_heavy_atoms: | 21 |
| TPSA: | 75.71 | NumAromaticRings: | 2 |
