Glycoside
GD025417
Name:
NoneFormula:
C25H34O14Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]2[C@H](C)[C@@H](OC(C)=O)C[C@@H]12Aglycone:
COC(=O)C1=COC(O)C2C1CC(OC(C)=O)C2CSugarmoiety:
CC(=O)OC1C(O)OC(CO)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.72 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 558.53 | Num_heavy_atoms: | 39 |
| TPSA: | 179.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD02417
Formula: C13H18O6
Smiles:
COC(=O)C1=COC(O)C2C1CC(OC(C)=O)C2C| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.28 | Num_heavy_atoms: | 19 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
