Glycoside
GD022271
Name:
NoneFormula:
C13H18O6Smiles:
COc1ccc(C2(CO)OC(CO)C(O)C2O)cc1Aglycone:
COc1ccccc1Sugarmoiety:
OCC1OC(O)(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.54 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 4 |
| MolWt: | 270.28 | Num_heavy_atoms: | 19 |
| TPSA: | 99.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD00247
Formula: C7H8O
Smiles:
COc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
