Glycoside
GD141351
Name:
Phellodenol GFormula:
C20H24O9Smiles:
CC(=CCc1cc2ccc(=O)oc2cc1OC1OC(CO)C(O)C(O)C1O)COAglycone:
CC(=CCc1cc2ccc(=O)oc2cc1O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.45 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 408.4 | Num_heavy_atoms: | 29 |
| TPSA: | 149.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD56952
Formula: C14H14O4
Smiles:
CC(=CCc1cc2ccc(=O)oc2cc1O)CO| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.21 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
