Glycoside
GD004942
Name:
PsoralenosideFormula:
C17H18O9Smiles:
O=C(O)C=Cc1cc2ccoc2cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
O=C(O)C=Cc1cc2ccoc2cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.32 | Num_heavy_atoms: | 26 |
| TPSA: | 149.82 | NumAromaticRings: | 2 |
Unique Aglycone
AD04254
Formula: C11H8O4
Smiles:
O=C(O)C=Cc1cc2ccoc2cc1O| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 204.18 | Num_heavy_atoms: | 15 |
| TPSA: | 70.67 | NumAromaticRings: | 2 |
