Glycoside
GD135534
Name:
8-(benzylamino)-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-oneFormula:
C17H19O5N5Smiles:
OCC1OC(n2c(=NCc3ccccc3)[nH]c3c(O)ncnc32)C(O)C1OAglycone:
Oc1ncnc2c1NC(=NCc1ccccc1)[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 373.37 | Num_heavy_atoms: | 27 |
| TPSA: | 149.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD54802
Formula: C12H10ON5
Smiles:
Oc1ncnc2c1NC(=NCc1ccccc1)[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.08 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.25 | Num_heavy_atoms: | 18 |
| TPSA: | 84.5 | NumAromaticRings: | 2 |
