Glycoside
GD119625
Name:
9-[2-(furan-3-yl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-9,12-dimethyl-3-oxo-2-oxatricyclo[6.3.1.0â´,¹²]dodec-4-ene-10-carboxylic acidFormula:
C26H34O11Smiles:
CC1(CC(OC2OC(CO)C(O)C(O)C2O)c2ccoc2)C(C(=O)O)CC2OC(=O)C3=CCCC1C32CAglycone:
CC1(CC(O)c2ccoc2)C(C(=O)O)CC2OC(=O)C3=CCCC1C32CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 522.55 | Num_heavy_atoms: | 37 |
| TPSA: | 176.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD47962
Formula: C20H24O6
Smiles:
CC1(CC(O)c2ccoc2)C(C(=O)O)CC2OC(=O)C3=CCCC1C32C| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 96.97 | NumAromaticRings: | 1 |
