Glycoside
GD011085
Name:
MelittosideFormula:
C21H32O15Smiles:
OCC1=C[C@H](O)[C@]2(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12Aglycone:
OCC1=CC(O)C2(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.81 |
| AlogP: | -5.86 | Num_rotatable_bonds: | 7 |
| MolWt: | 524.47 | Num_heavy_atoms: | 36 |
| TPSA: | 248.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD05061
Formula: C9H12O5
Smiles:
OCC1=CC(O)C2(O)C=COC(O)C12| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
