Glycoside
GD139836
Name:
Ponalactone A GlucosideFormula:
C25H32O11Smiles:
CC(C)C1OC(=O)C=C2C1=CC1OC(=O)C3(C)C(OC4OC(CO)C(O)C(O)C4O)C4OC4C2(C)C13Aglycone:
CC(C)C1OC(=O)C=C2C1=CC1OC(=O)C3(C)C(O)C4OC4C2(C)C13Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 4 |
| MolWt: | 508.52 | Num_heavy_atoms: | 36 |
| TPSA: | 164.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD56396
Formula: C19H22O6
Smiles:
CC(C)C1OC(=O)C=C2C1=CC1OC(=O)C3(C)C(O)C4OC4C2(C)C13| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 346.38 | Num_heavy_atoms: | 25 |
| TPSA: | 85.36 | NumAromaticRings: | 0 |
