Glycoside
GD024392
Name:
FISCHEROSIDES AFormula:
C28H40O11Smiles:
CC(=O)O[C@@]12C[C@H](C)[C@@]3(O)[C@@H]4C=C(C)C(=O)[C@@]4(O)CC(CO[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)=C[C@@H]3[C@H]1C2(C)CAglycone:
CC(=O)OC12CC(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(C)=CC43)C1C2(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.79 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 552.62 | Num_heavy_atoms: | 39 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD16288
Formula: C22H30O6
Smiles:
CC(=O)OC12CC(C)C3(O)C(C=C(CO)CC4(O)C(=O)C(C)=CC43)C1C2(C)C| HBA: | 6 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.48 | Num_heavy_atoms: | 28 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
