Glycoside
GD022990
Name:
DAPHNESIDEFormula:
C21H26O14Smiles:
O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2o1Aglycone:
O=c1ccc2ccc(O)c(O)c2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.57 |
| AlogP: | -3.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 502.43 | Num_heavy_atoms: | 35 |
| TPSA: | 228.97 | NumAromaticRings: | 2 |
Unique Aglycone
AD10122
Formula: C9H6O4
Smiles:
O=c1ccc2ccc(O)c(O)c2o1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.14 | Num_heavy_atoms: | 13 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
