Glycoside
GD117045
Name:
Pestalotiopyrone KFormula:
C16H20O9Smiles:
COc1cc(C(C)=CC(=O)OCC(O)C(O)COC(C)=O)oc(=O)c1Aglycone:
COc1cc(C(C)=CC=O)oc(=O)c1Sugarmoiety:
CC(=O)OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 356.33 | Num_heavy_atoms: | 25 |
| TPSA: | 132.5 | NumAromaticRings: | 1 |
Unique Aglycone
AD46600
Formula: C10H10O4
Smiles:
COc1cc(C(C)=CC=O)oc(=O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 56.51 | NumAromaticRings: | 1 |
