Glycoside
GD032878
Name:
PHELLAMURINFormula:
C26H30O11Smiles:
CC(C)=CCc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@H](O)C2=OAglycone:
CC(C)=CCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)C(O)C2=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | 0.46 | Num_rotatable_bonds: | 6 |
| MolWt: | 518.52 | Num_heavy_atoms: | 37 |
| TPSA: | 186.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD21031
Formula: C20H20O6
Smiles:
CC(C)=CCc1c(O)cc(O)c2c1OC(c1ccc(O)cc1)C(O)C2=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.25 |
| AlogP: | 2.99 | Num_rotatable_bonds: | 3 |
| MolWt: | 356.37 | Num_heavy_atoms: | 26 |
| TPSA: | 107.22 | NumAromaticRings: | 2 |
