Glycoside
GD106791
Name:
NoneFormula:
C26H34O11Smiles:
C[C@]1(C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccoc2)[C@@H]2CCC=C(C(=O)O)[C@]2(C)[C@@H]2C[C@H]1C(=O)O2Aglycone:
CC1(CC(O)c2ccoc2)C2CC(OC2=O)C2(C)C(C(=O)O)=CCCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 522.55 | Num_heavy_atoms: | 37 |
| TPSA: | 176.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD44215
Formula: C20H24O6
Smiles:
CC1(CC(O)c2ccoc2)C2CC(OC2=O)C2(C)C(C(=O)O)=CCCC12| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 360.41 | Num_heavy_atoms: | 26 |
| TPSA: | 96.97 | NumAromaticRings: | 1 |
