Glycoside
GD122339
Name:
Abelioside AFormula:
C25H34O12Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC2CC3CC(=O)OCC3C2C)C1CC=OAglycone:
C=CC1C(O)OC=C(C(=O)OC2CC3CC(=O)OCC3C2C)C1CC=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.72 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 526.54 | Num_heavy_atoms: | 37 |
| TPSA: | 178.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD49289
Formula: C19H24O7
Smiles:
C=CC1C(O)OC=C(C(=O)OC2CC3CC(=O)OCC3C2C)C1CC=O| HBA: | 7 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.63 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 5 |
| MolWt: | 364.39 | Num_heavy_atoms: | 26 |
| TPSA: | 99.13 | NumAromaticRings: | 0 |
