Glycoside
GD133704
Name:
Bauhiniaside BFormula:
C22H26O9Smiles:
COc1ccc(CCC(=O)c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2O)cc1Aglycone:
COc1ccc(CCC(=O)c2ccc(O)cc2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 8 |
| MolWt: | 434.44 | Num_heavy_atoms: | 31 |
| TPSA: | 145.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD45039
Formula: C16H16O4
Smiles:
COc1ccc(CCC(=O)c2ccc(O)cc2O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.19 |
| AlogP: | 2.92 | Num_rotatable_bonds: | 5 |
| MolWt: | 272.3 | Num_heavy_atoms: | 20 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
