Glycoside
GD114919
Name:
8-O-AcetylmussaenosideFormula:
C19H28O11Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CCC2(C)OC(C)=OAglycone:
COC(=O)C1=COC(O)C2C1CCC2(C)OC(C)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 432.42 | Num_heavy_atoms: | 30 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD45362
Formula: C13H18O6
Smiles:
COC(=O)C1=COC(O)C2C1CCC2(C)OC(C)=O| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 270.28 | Num_heavy_atoms: | 19 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
