Glycoside
GD115176
Name:
Wahlenoside BFormula:
C31H42O19Smiles:
COc1cc(C=CCOC(=O)CC(C)(CC(=O)O)OC(=O)C2(O)CC(O)C(O)C(OC(C)=O)C2)cc(O)c1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C=CCOC(=O)CC(C)(CC(=O)O)OC(=O)C2(O)CC(O)C(O)C(OC(C)=O)C2)cc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.61 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 14 |
| MolWt: | 718.66 | Num_heavy_atoms: | 50 |
| TPSA: | 305.73 | NumAromaticRings: | 1 |
Unique Aglycone
AD45510
Formula: C25H32O14
Smiles:
COc1cc(C=CCOC(=O)CC(C)(CC(=O)O)OC(=O)C2(O)CC(O)C(O)C(OC(C)=O)C2)cc(O)c1O| HBA: | 14 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.52 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 556.52 | Num_heavy_atoms: | 39 |
| TPSA: | 226.58 | NumAromaticRings: | 1 |
