Glycoside
GD039479
Name:
Beta-KdnFormula:
C9H16O9Smiles:
O=C(O)[C@@]1(O)C[C@@H](O)[C@@H](O)[C@@H]([C@@H](O)[C@@H](O)CO)O1Aglycone:
OCC(O)COSugarmoiety:
O=C(O)C(O)(CO)OOC(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | -4.02 | Num_rotatable_bonds: | 4 |
| MolWt: | 268.22 | Num_heavy_atoms: | 18 |
| TPSA: | 167.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD00405
Formula: C3H8O3
Smiles:
OCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.09 | Num_heavy_atoms: | 6 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
