Glycoside
GD104473
Name:
NoneFormula:
C19H28O14Smiles:
CCOC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(=O)OCC)[C@@H]1OC(=O)OCCAglycone:
CCOC(=O)O.CCOC(=O)O.CCOC(=O)OCSugarmoiety:
CC(=O)OOC(OOCO)OC(C)=O.CCO.COOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.74 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 9 |
| MolWt: | 480.42 | Num_heavy_atoms: | 33 |
| TPSA: | 168.42 | NumAromaticRings: | 0 |
Unique Aglycone
AD12477
Formula: C4H8O3
Smiles:
CCOC(=O)OC| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 1 |
| MolWt: | 104.1 | Num_heavy_atoms: | 7 |
| TPSA: | 35.53 | NumAromaticRings: | 0 |
AD43990
Formula: C3H6O3
Smiles:
CCOC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 90.08 | Num_heavy_atoms: | 6 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
