Glycoside
GD115826
Name:
SibiskosideFormula:
C16H24O8Smiles:
CC(C)=CC1CC(=CCOC2OC(CO)C(O)C(O)C2O)C(=O)O1Aglycone:
CC(C)=CC1CC(=CCO)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.99 | Num_rotatable_bonds: | 5 |
| MolWt: | 344.36 | Num_heavy_atoms: | 24 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD19324
Formula: C10H14O3
Smiles:
CC(C)=CC1CC(=CCO)C(=O)O1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
