Glycoside
GD146344
Name:
Abelioside BFormula:
C25H36O12Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3CC(=O)OCC3C2C)C1CCOAglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3CC(=O)OCC3C2C)C1CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 8 |
| MolWt: | 528.55 | Num_heavy_atoms: | 37 |
| TPSA: | 181.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD58694
Formula: C19H26O7
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3CC(=O)OCC3C2C)C1CCO| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.68 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 366.41 | Num_heavy_atoms: | 26 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
