Glycoside
GD001576
Name:
NoneFormula:
C22H34O13Smiles:
COc1cc(CCCO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(CCCO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.73 |
| AlogP: | -3.38 | Num_rotatable_bonds: | 10 |
| MolWt: | 506.5 | Num_heavy_atoms: | 35 |
| TPSA: | 207.99 | NumAromaticRings: | 1 |
Unique Aglycone
AD01568
Formula: C10H14O3
Smiles:
COc1cc(CCCO)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 182.22 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
