Glycoside
GD112368
Name:
NoneFormula:
C28H30O9Smiles:
COc1ccccc1OC[C@H]1O[C@@H](OC(C)=O)[C@H](Oc2ccccc2OC)[C@@H]1Oc1ccccc1OCAglycone:
COc1ccccc1O.COc1ccccc1O.COc1ccccc1OCSugarmoiety:
CC(=O)OC1OOC(CO)O1.COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.32 |
| AlogP: | 4.27 | Num_rotatable_bonds: | 11 |
| MolWt: | 510.54 | Num_heavy_atoms: | 37 |
| TPSA: | 90.91 | NumAromaticRings: | 3 |
Unique Aglycone
AD16459
Formula: C7H8O2
Smiles:
COc1ccccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
AD44767
Formula: C8H10O2
Smiles:
COc1ccccc1OC| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 2 |
| MolWt: | 138.17 | Num_heavy_atoms: | 10 |
| TPSA: | 18.46 | NumAromaticRings: | 1 |
