Glycoside
GD134246
Name:
5,7,4'-Trihydroxy-6-Methoxyisoflavone 7-O-Beta-D-Xylopyranosyl-(1->6)-O-Beta-D-GlucopyranosideFormula:
C27H30O15Smiles:
COc1c(OC2OC(COC3OCC(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:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 594.52 | Num_heavy_atoms: | 42 |
| TPSA: | 238.2 | 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 |
