Glycoside
GD033102
Name:
NoneFormula:
C18H24O11Smiles:
COc1cc(OC)cc(OC(=O)CC(=O)O[C@H]2[C@H](O)[C@@H](OC)O[C@@H](CO)[C@H]2O)c1Aglycone:
COc1cc(OC)cc(OC(=O)CC(=O)O)c1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 8 |
| MolWt: | 416.38 | Num_heavy_atoms: | 29 |
| TPSA: | 150.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD21152
Formula: C11H12O6
Smiles:
COc1cc(OC)cc(OC(=O)CC(=O)O)c1| HBA: | 6 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.27 |
| AlogP: | 1.08 | Num_rotatable_bonds: | 5 |
| MolWt: | 240.21 | Num_heavy_atoms: | 17 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
