Glycoside
GD119392
Name:
Xanthotoxol; O-β-D-GlucopyranosideFormula:
C17H16O9Smiles:
O=c1ccc2cc3ccoc3c(OC3OC(CO)C(O)C(O)C3O)c2o1Aglycone:
O=c1ccc2cc3ccoc3c(O)c2o1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 364.31 | Num_heavy_atoms: | 26 |
| TPSA: | 142.73 | NumAromaticRings: | 3 |
Unique Aglycone
AD47824
Formula: C11H6O4
Smiles:
O=c1ccc2cc3ccoc3c(O)c2o1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 202.16 | Num_heavy_atoms: | 15 |
| TPSA: | 63.58 | NumAromaticRings: | 3 |
