Glycoside
GD011607
Name:
IXOSIDEFormula:
C16H20O11Smiles:
O=C(O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2C(C(=O)O)=CC[C@H]12Aglycone:
O=C(O)C1=COC(O)C2C(C(=O)O)=CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.62 |
| AlogP: | -2.23 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.33 | Num_heavy_atoms: | 27 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD01005
Formula: C10H10O6
Smiles:
O=C(O)C1=COC(O)C2C(C(=O)O)=CCC12| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.18 | Num_heavy_atoms: | 16 |
| TPSA: | 104.06 | NumAromaticRings: | 0 |
