Glycoside
GD131146
Name:
6'-o-p-hydroxybenzoylantirrinosideFormula:
C22H26O12Smiles:
CC12OC1C(OC(=O)c1ccc(O)cc1)C1(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12Aglycone:
CC12OC1C(OC(=O)c1ccc(O)cc1)C1(O)C=COC(O)C12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 482.44 | Num_heavy_atoms: | 34 |
| TPSA: | 187.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD53143
Formula: C16H16O7
Smiles:
CC12OC1C(OC(=O)c1ccc(O)cc1)C1(O)C=COC(O)C12| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.44 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 320.3 | Num_heavy_atoms: | 23 |
| TPSA: | 108.75 | NumAromaticRings: | 1 |
