Glycoside
GD044004
Name:
1-MethylinosineFormula:
C11H14O5N4Smiles:
Cn1cnc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=OAglycone:
Cn1cnc2c(c1=O)N=C[N]2Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | -2.26 | Num_rotatable_bonds: | 2 |
| MolWt: | 282.26 | Num_heavy_atoms: | 20 |
| TPSA: | 122.63 | NumAromaticRings: | 2 |
Unique Aglycone
AD22588
Formula: C6H5ON4
Smiles:
Cn1cnc2c(c1=O)N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.17 |
| AlogP: | -0.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.13 | Num_heavy_atoms: | 11 |
| TPSA: | 61.35 | NumAromaticRings: | 1 |
