Glycoside
GD115320
Name:
Geraldol 4'-GlucosideFormula:
C22H22O11Smiles:
COc1cc(-c2oc3cc(O)ccc3c(=O)c2O)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(-c2oc3cc(O)ccc3c(=O)c2O)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 462.41 | Num_heavy_atoms: | 33 |
| TPSA: | 179.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD19660
Formula: C16H12O6
Smiles:
COc1cc(-c2oc3cc(O)ccc3c(=O)c2O)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
