Aglycone
AD53484
Formula: C9H13O4N
Smiles:
COC1C(O)CC(O)C(=CC#N)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 1 |
| MolWt: | 199.21 | Num_heavy_atoms: | 14 |
| TPSA: | 93.71 | NumAromaticRings: | 0 |
