Glycoside
GD119811
Name:
Tectorigenin 7-O-GentiobiosideFormula:
C28H32O16Smiles:
COc1c(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1OAglycone:
COc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1OSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.46 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 8 |
| MolWt: | 624.55 | Num_heavy_atoms: | 44 |
| TPSA: | 258.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD14621
Formula: C16H12O6
Smiles:
COc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 2 |
| MolWt: | 300.27 | Num_heavy_atoms: | 22 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
