Glycoside
GD017783
Name:
SIMMONDSINFormula:
C16H25O9NSmiles:
CO[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=CC#N)[C@H](O)[C@H]1OCAglycone:
COC1CC(O)C(=CC#N)C(O)C1OCSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | -2.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 375.37 | Num_heavy_atoms: | 26 |
| TPSA: | 161.86 | NumAromaticRings: | 0 |
Unique Aglycone
AD02177
Formula: C10H15O4N
Smiles:
COC1CC(O)C(=CC#N)C(O)C1OC| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 213.23 | Num_heavy_atoms: | 15 |
| TPSA: | 82.71 | NumAromaticRings: | 0 |
