Glycoside
GD025847
Name:
LETHEDOSIDE BFormula:
C25H28O12Smiles:
COc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1Aglycone:
COc1cc(O)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 8 |
| MolWt: | 520.49 | Num_heavy_atoms: | 37 |
| TPSA: | 166.51 | NumAromaticRings: | 3 |
Unique Aglycone
AD16108
Formula: C19H18O7
Smiles:
COc1cc(O)c2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)oc2c1| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.21 |
| AlogP: | 3.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 358.35 | Num_heavy_atoms: | 26 |
| TPSA: | 87.36 | NumAromaticRings: | 3 |
