Glycoside
GD143886
Name:
Paeoniflorin SulfonateFormula:
C23H28O14SSmiles:
CC12CC3(OS(=O)(=O)O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OC1OC(CO)C(O)C(O)C1OAglycone:
CC12CC3(OS(=O)(=O)O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 8 |
| HBD: | 5 | FractionCSP3: | 0.7 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 560.53 | Num_heavy_atoms: | 38 |
| TPSA: | 207.74 | NumAromaticRings: | 1 |
Unique Aglycone
AD57848
Formula: C17H18O9S
Smiles:
CC12CC3(OS(=O)(=O)O)OC(O1)C1(COC(=O)c4ccccc4)C3CC21O| HBA: | 9 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.59 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 398.39 | Num_heavy_atoms: | 27 |
| TPSA: | 128.59 | NumAromaticRings: | 1 |
