Glycoside
GD031095
Name:
HEDYOTOSIDE EFormula:
C28H34O13Smiles:
CCCCOC(=O)[C@H](Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
CCCCOC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 12 |
| MolWt: | 578.57 | Num_heavy_atoms: | 41 |
| TPSA: | 212.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD20063
Formula: C22H24O8
Smiles:
CCCCOC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 3.02 | Num_rotatable_bonds: | 9 |
| MolWt: | 416.43 | Num_heavy_atoms: | 30 |
| TPSA: | 133.52 | NumAromaticRings: | 2 |
