Glycoside
GD076535
Name:
Cnidioside BFormula:
C18H22O10Smiles:
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CCC(=O)O)cc2ccoc12Aglycone:
COc1c(O)c(CCC(=O)O)cc2ccoc12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 7 |
| MolWt: | 398.36 | Num_heavy_atoms: | 28 |
| TPSA: | 159.05 | NumAromaticRings: | 2 |
Unique Aglycone
AD35279
Formula: C12H12O5
Smiles:
COc1c(O)c(CCC(=O)O)cc2ccoc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 236.22 | Num_heavy_atoms: | 17 |
| TPSA: | 79.9 | NumAromaticRings: | 2 |
