Aglycone
AD48977
Formula: C13H17O5N
Smiles:
CC(C)=CC(=O)OC1C(O)CC(O)C(=CC#N)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 267.28 | Num_heavy_atoms: | 19 |
| TPSA: | 110.78 | NumAromaticRings: | 0 |