Glycoside
GD019566
Name:
Cnidioside CFormula:
C16H28O7Smiles:
C=C[C@](C)(CCC=C(C)CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
C=CC(C)(O)CCC=C(C)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 8 |
| MolWt: | 332.39 | Num_heavy_atoms: | 23 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD13647
Formula: C10H18O2
Smiles:
C=CC(C)(O)CCC=C(C)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
