Glycoside
GD147903
Name:
Pestalotiopyrone JFormula:
C14H18O8Smiles:
COc1cc(C(C)=CC(=O)OCC(O)C(O)CO)oc(=O)c1Aglycone:
COc1cc(C(C)=CC=O)oc(=O)c1Sugarmoiety:
OCC(O)C(O)COOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.43 |
| AlogP: | -0.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 314.29 | Num_heavy_atoms: | 22 |
| TPSA: | 126.43 | 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 |
