Glycoside
GD033929
Name:
NoneFormula:
C19H26O14Smiles:
O=C(O)CO[C@H]1[C@H](O)[C@@H](Oc2ccccc2O[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O)O[C@@H](CO)[C@H]1OAglycone:
O=C(O)CO.Oc1ccccc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.63 |
| AlogP: | -3.89 | Num_rotatable_bonds: | 8 |
| MolWt: | 478.4 | Num_heavy_atoms: | 33 |
| TPSA: | 225.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD02329
Formula: C2H4O3
Smiles:
O=C(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 1 |
| MolWt: | 76.05 | Num_heavy_atoms: | 5 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
AD02518
Formula: C6H6O2
Smiles:
Oc1ccccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
