Glycoside
GD123496
Name:
7-O-Methyltectorigenin 4'-O-GentiobiosideFormula:
C29H34O16Smiles:
COc1cc2occ(-c3ccc(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)cc3)c(=O)c2c(O)c1OCAglycone:
COc1cc2occ(-c3ccc(O)cc3)c(=O)c2c(O)c1OCSugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.48 |
| AlogP: | -1.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 638.58 | Num_heavy_atoms: | 45 |
| TPSA: | 247.43 | NumAromaticRings: | 3 |
Unique Aglycone
AD49844
Formula: C17H14O6
Smiles:
COc1cc2occ(-c3ccc(O)cc3)c(=O)c2c(O)c1OC| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 89.13 | NumAromaticRings: | 3 |
