Glycoside
GD013961
Name:
FIBRAURINOSIDEFormula:
C26H30O12Smiles:
C[C@@]12C[C@H](c3ccoc3)OC(=O)C1=CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1O[C@H]21Aglycone:
CC12CC(c3ccoc3)OC(=O)C1=CCC1(C)C2C2OC(=O)C1(O)C1OC21Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 8 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 4 |
| MolWt: | 534.51 | Num_heavy_atoms: | 38 |
| TPSA: | 177.65 | NumAromaticRings: | 1 |
Unique Aglycone
AD10346
Formula: C20H20O7
Smiles:
CC12CC(c3ccoc3)OC(=O)C1=CCC1(C)C2C2OC(=O)C1(O)C1OC21| HBA: | 7 | RingCount: | 7 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.37 | Num_heavy_atoms: | 27 |
| TPSA: | 98.5 | NumAromaticRings: | 1 |
