Glycoside
GD123091
Name:
7-O-Methyl-10-Oxy-Thymol GentiobiosideFormula:
C23H36O12Smiles:
COc1cc(COC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)ccc1C(C)CAglycone:
COc1cc(CO)ccc1C(C)CSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.74 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 9 |
| MolWt: | 504.53 | Num_heavy_atoms: | 35 |
| TPSA: | 187.76 | NumAromaticRings: | 1 |
Unique Aglycone
AD49650
Formula: C11H16O2
Smiles:
COc1cc(CO)ccc1C(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.25 | Num_heavy_atoms: | 13 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
