Glycoside
GD001798
Name:
NoneFormula:
C25H30O11Smiles:
COc1cccc(C=CC(=O)C[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1Aglycone:
COC(C)=O.COc1cccc(C=CC(C)=O)c1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.48 |
| AlogP: | 1.79 | Num_rotatable_bonds: | 10 |
| MolWt: | 506.5 | Num_heavy_atoms: | 36 |
| TPSA: | 140.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD01761
Formula: C11H12O2
Smiles:
COc1cccc(C=CC(C)=O)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.18 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 176.21 | Num_heavy_atoms: | 13 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
