Glycoside
GD013493
Name:
NoneFormula:
C12H16O5N4Smiles:
CN1C=C([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C2=NC(N)=NC(=O)C21Aglycone:
CN1C=CC2=NC(N)=NC(=O)C21Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -3.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 296.28 | Num_heavy_atoms: | 21 |
| TPSA: | 140.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD10058
Formula: C7H8ON4
Smiles:
CN1C=CC2=NC(N)=NC(=O)C21| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | -0.89 | Num_rotatable_bonds: | 0 |
| MolWt: | 164.17 | Num_heavy_atoms: | 12 |
| TPSA: | 71.05 | NumAromaticRings: | 0 |
