Glycoside
GD001676
Name:
3-HydroxyasebotinFormula:
C22H26O11Smiles:
COc1cc(O)c(C(=O)CCc2ccc(O)c(O)c2)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
COc1cc(O)c(C(=O)CCc2ccc(O)c(O)c2)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.41 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 8 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD01655
Formula: C16H16O6
Smiles:
COc1cc(O)c(C(=O)CCc2ccc(O)c(O)c2)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.19 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
