Glycoside
GD022025
Name:
NoneFormula:
C12H16O5N4Smiles:
CO[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1ccc2c(O)nc(N)nc21Aglycone:
Nc1nc(O)c2c(n1)[N]C=C2Sugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 296.28 | Num_heavy_atoms: | 21 |
| TPSA: | 135.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD01140
Formula: C6H5ON4
Smiles:
Nc1nc(O)c2c(n1)[N]C=C2| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.13 | Num_heavy_atoms: | 11 |
| TPSA: | 86.13 | NumAromaticRings: | 1 |
