Glycoside
GD001034
Name:
GENIPIN GENTIOBIOSIDEFormula:
C23H34O15Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12Aglycone:
COC(=O)C1=COC(O)C2C(CO)=CCC12Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.78 |
| AlogP: | -4.4 | Num_rotatable_bonds: | 8 |
| MolWt: | 550.51 | Num_heavy_atoms: | 38 |
| TPSA: | 234.29 | NumAromaticRings: | 0 |
Unique Aglycone
AD01075
Formula: C11H14O5
Smiles:
COC(=O)C1=COC(O)C2C(CO)=CCC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.55 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
