Glycoside
GD016396
Name:
OXYPAEONIDANINFormula:
C24H30O12Smiles:
CO[C@@H]1O[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)c1ccc(O)cc1Aglycone:
COC1OC2(C)CC(=O)C3CC2(O)C13COC(=O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 510.49 | Num_heavy_atoms: | 36 |
| TPSA: | 181.44 | NumAromaticRings: | 1 |
Unique Aglycone
AD07736
Formula: C18H20O7
Smiles:
COC1OC2(C)CC(=O)C3CC2(O)C13COC(=O)c1ccc(O)cc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 348.35 | Num_heavy_atoms: | 25 |
| TPSA: | 102.29 | NumAromaticRings: | 1 |
