Glycoside
GD132406
Name:
DunnisinosideFormula:
C26H30O13Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C=CC21OC(=O)C(Cc2ccc(O)cc2)C1OAglycone:
COC(=O)C1=COC(O)C2C1C=CC21OC(=O)C(Cc2ccc(O)cc2)C1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 550.51 | Num_heavy_atoms: | 39 |
| TPSA: | 201.67 | NumAromaticRings: | 1 |
Unique Aglycone
AD53606
Formula: C20H20O8
Smiles:
COC(=O)C1=COC(O)C2C1C=CC21OC(=O)C(Cc2ccc(O)cc2)C1O| HBA: | 8 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 0.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 388.37 | Num_heavy_atoms: | 28 |
| TPSA: | 122.52 | NumAromaticRings: | 1 |
