Glycoside
GD137208
Name:
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-6,9-dihydro-1H-purin-6-oneFormula:
C16H24O6N6Smiles:
OCCN1CCN(c2nc3c(O)ncnc3n2C2OC(CO)C(O)C2O)CC1Aglycone:
OCCN1CCN(C2=Nc3c(O)ncnc3[N]2)CC1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -2.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 396.4 | Num_heavy_atoms: | 28 |
| TPSA: | 160.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD55445
Formula: C11H15O2N6
Smiles:
OCCN1CCN(C2=Nc3c(O)ncnc3[N]2)CC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | -0.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 263.28 | Num_heavy_atoms: | 19 |
| TPSA: | 99.18 | NumAromaticRings: | 1 |
