Glycoside
GD071151
Name:
KetologaninFormula:
C17H24O10Smiles:
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](C)C(=O)C[C@@H]12Aglycone:
COC(=O)C1=COC(O)C2C(C)C(=O)CC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.76 |
| AlogP: | -1.94 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.37 | Num_heavy_atoms: | 27 |
| TPSA: | 151.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD11439
Formula: C11H14O5
Smiles:
COC(=O)C1=COC(O)C2C(C)C(=O)CC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 1 |
| MolWt: | 226.23 | Num_heavy_atoms: | 16 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
