Glycoside
GD122672
Name:
5-({6-[(3,7-dimethylocta-1,6-dien-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-hydroxy-5-oxopentanoic acidFormula:
C21H34O10Smiles:
C=CC(C)(CCC=C(C)C)OC1OC(COC(=O)CC(O)CC(=O)O)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)C.COC(=O)CC(O)CC(=O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.71 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 12 |
| MolWt: | 446.49 | Num_heavy_atoms: | 31 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD10262
Formula: C10H18O
Smiles:
C=CC(C)(O)CCC=C(C)C| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.6 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 4 |
| MolWt: | 154.25 | Num_heavy_atoms: | 11 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD49455
Formula: C6H10O5
Smiles:
COC(=O)CC(O)CC(=O)O| HBA: | 5 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.67 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 162.14 | Num_heavy_atoms: | 11 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
