Glycoside
GD033245
Name:
NoneFormula:
C24H40O15Smiles:
CCC(=O)OC[C@@H]1O[C@H](OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[C@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]1OC(=O)CCAglycone:
CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)OCSugarmoiety:
OCC1OC(O)C(O)C(OCC(O)C(O)C(O)C(O)CO)O1Other Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.83 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 16 |
| MolWt: | 568.57 | Num_heavy_atoms: | 39 |
| TPSA: | 224.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD04957
Formula: C4H8O2
Smiles:
CCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
