Glycoside
GD134925
Name:
Fomentarol DFormula:
C34H54O9Smiles:
CC(C=CC(C)C(C)(C)O)C1CC(OC2OC(CO)C(O)C(O)C2O)C2C3=CC(=O)C4CC(O)CCC4(C)C3CCC12CAglycone:
CC(C=CC(C)C(C)(C)O)C1CC(O)C2C3=CC(=O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.85 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 7 |
| MolWt: | 606.8 | Num_heavy_atoms: | 43 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD54578
Formula: C28H44O4
Smiles:
CC(C=CC(C)C(C)(C)O)C1CC(O)C2C3=CC(=O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.82 |
| AlogP: | 4.68 | Num_rotatable_bonds: | 4 |
| MolWt: | 444.66 | Num_heavy_atoms: | 32 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
