Glycoside
GD019358
Name:
PAEDEROSIDIC ACIDFormula:
C18H24O12SSmiles:
CSC(=O)OCC1=C[C@H](O)[C@@H]2C(C(=O)O)=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12Aglycone:
CSC(=O)OCC1=CC(O)C2C(C(=O)O)=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 6 |
| MolWt: | 464.45 | Num_heavy_atoms: | 31 |
| TPSA: | 192.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD13525
Formula: C12H14O7S
Smiles:
CSC(=O)OCC1=CC(O)C2C(C(=O)O)=COC(O)C12| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 302.3 | Num_heavy_atoms: | 20 |
| TPSA: | 113.29 | NumAromaticRings: | 0 |
