Glycoside
GD033330
Name:
OXYPAEONIFLORIN SULFONATEFormula:
C23H28O14SSmiles:
C[C@@]12C[C@]3(OS(=O)O)O[C@H](O1)[C@]1(COC(=O)c4ccc(O)cc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC12CC3(OS(=O)O)OC(O1)C1(COC(=O)c4ccc(O)cc4)C3CC21OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 6 | FractionCSP3: | 0.7 |
| AlogP: | -1.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 560.53 | Num_heavy_atoms: | 38 |
| TPSA: | 210.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD21285
Formula: C17H18O9S
Smiles:
CC12CC3(OS(=O)O)OC(O1)C1(COC(=O)c4ccc(O)cc4)C3CC21O| HBA: | 9 | RingCount: | 7 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 5 |
| MolWt: | 398.39 | Num_heavy_atoms: | 27 |
| TPSA: | 131.75 | NumAromaticRings: | 1 |
