Glycoside
GD026110
Name:
PAEONIDANINFormula:
C25H32O10Smiles:
COC1C[C@]2(C)CC(=O)[C@@H]3C[C@@]2(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@]13COC(=O)c1ccccc1Aglycone:
COC1CC2(C)CC(=O)C3CC2(O)C13COC(=O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 7 |
| MolWt: | 492.52 | Num_heavy_atoms: | 35 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD17238
Formula: C19H22O5
Smiles:
COC1CC2(C)CC(=O)C3CC2(O)C13COC(=O)c1ccccc1| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 330.38 | Num_heavy_atoms: | 24 |
| TPSA: | 72.83 | NumAromaticRings: | 1 |
