Glycoside
GD079240
Name:
7Beta-O-MethylmorronisideFormula:
C18H28O11Smiles:
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@@H](OC)O[C@@H]2CAglycone:
COC(=O)C1=COC(O)C2C(C)OC(OC)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 5 |
| MolWt: | 420.41 | Num_heavy_atoms: | 29 |
| TPSA: | 153.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD06625
Formula: C12H18O6
Smiles:
COC(=O)C1=COC(O)C2C(C)OC(OC)CC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.27 | Num_heavy_atoms: | 18 |
| TPSA: | 74.22 | NumAromaticRings: | 0 |
