Glycoside
GD015514
Name:
DeoxyloganinFormula:
C17H26O9Smiles:
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)CC[C@@H]12Aglycone:
COC(=O)C1=COC(O)C2C(C)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 374.39 | Num_heavy_atoms: | 26 |
| TPSA: | 134.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD11261
Formula: C11H16O4
Smiles:
COC(=O)C1=COC(O)C2C(C)CCC12| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 1 |
| MolWt: | 212.24 | Num_heavy_atoms: | 15 |
| TPSA: | 55.76 | NumAromaticRings: | 0 |
