Glycoside
GD129230
Name:
Wahlenoside CFormula:
C32H44O19Smiles:
COC(=O)CC(C)(CC(=O)OCC=Cc1cc(O)c(OC2OC(CO)C(O)C(O)C2O)c(OC)c1)OC(=O)C1(O)CC(O)C(O)C(OC(C)=O)C1Aglycone:
COC(=O)CC(C)(CC(=O)OCC=Cc1cc(O)c(O)c(OC)c1)OC(=O)C1(O)CC(O)C(O)C(OC(C)=O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.62 |
| AlogP: | -2.43 | Num_rotatable_bonds: | 14 |
| MolWt: | 732.69 | Num_heavy_atoms: | 51 |
| TPSA: | 294.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD52355
Formula: C26H34O14
Smiles:
COC(=O)CC(C)(CC(=O)OCC=Cc1cc(O)c(O)c(OC)c1)OC(=O)C1(O)CC(O)C(O)C(OC(C)=O)C1| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 11 |
| MolWt: | 570.54 | Num_heavy_atoms: | 40 |
| TPSA: | 215.58 | NumAromaticRings: | 1 |
