Glycoside
GD035401
Name:
NoneFormula:
C19H28O11Smiles:
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]1CC[C@H]2COC(C)=OAglycone:
COC(=O)C1=COC(O)C2C(COC(C)=O)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | -1.58 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.42 | Num_heavy_atoms: | 30 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD22399
Formula: C13H18O6
Smiles:
COC(=O)C1=COC(O)C2C(COC(C)=O)CCC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 270.28 | Num_heavy_atoms: | 19 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
