Glycoside
GD117375
Name:
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-1-methyl-2,9-dihydro-1H-purin-2-oneFormula:
C11H14O6N4Smiles:
Cn1c(O)c2ncn(C3OC(CO)C(O)C3O)c2nc1=OAglycone:
Cn1c(O)c2c(nc1=O)[N]C=N2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.55 |
| AlogP: | -2.55 | Num_rotatable_bonds: | 2 |
| MolWt: | 298.26 | Num_heavy_atoms: | 21 |
| TPSA: | 142.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD46787
Formula: C6H5O2N4
Smiles:
Cn1c(O)c2c(nc1=O)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.13 | Num_heavy_atoms: | 12 |
| TPSA: | 81.58 | NumAromaticRings: | 1 |
