Glycoside
GD007054
Name:
CHLOROTUBEROSIDEFormula:
C18H25O11ClSmiles:
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]1[C@H](O)[C@H](Cl)[C@]2(C)OAglycone:
COC(=O)C1=COC(O)C2C1C(O)C(Cl)C2(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.82 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 4 |
| MolWt: | 440.83 | Num_heavy_atoms: | 29 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD05772
Formula: C12H15O6Cl
Smiles:
COC(=O)C1=COC(O)C2C1C(O)C(Cl)C2(C)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.73 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 278.69 | Num_heavy_atoms: | 18 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
