Glycoside
GD028620
Name:
NoneFormula:
C25H30O11Smiles:
COc1ccc(C=CC(=O)O[C@@H]2[C@H](CO)O[C@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@H]2O)cc1OCAglycone:
COc1ccc(C=CC(=O)O)cc1OC.OCCc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 10 |
| MolWt: | 506.5 | Num_heavy_atoms: | 36 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00128
Formula: C8H10O3
Smiles:
OCCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 60.69 | NumAromaticRings: | 1 |
AD09650
Formula: C11H12O4
Smiles:
COc1ccc(C=CC(=O)O)cc1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.18 |
| AlogP: | 1.8 | Num_rotatable_bonds: | 4 |
| MolWt: | 208.21 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
