Glycoside
GD017393
Name:
KHELLOSIDEFormula:
C19H20O10Smiles:
COc1c2ccoc2cc2oc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(=O)c12Aglycone:
COc1c2ccoc2cc2oc(CO)cc(=O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.42 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 5 |
| MolWt: | 408.36 | Num_heavy_atoms: | 29 |
| TPSA: | 151.96 | NumAromaticRings: | 3 |
Unique Aglycone
AD12416
Formula: C13H10O5
Smiles:
COc1c2ccoc2cc2oc(CO)cc(=O)c12| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 246.22 | Num_heavy_atoms: | 18 |
| TPSA: | 72.81 | NumAromaticRings: | 3 |
