Glycoside
GD118314
Name:
4'-hydroxy-3'-methoxyisoflavone-7-o-beta-d-xylopyranosyl-(1-6)-beta-d-glu+Formula:
C27H30O14Smiles:
O=c1c(-c2ccc(O)c(CO)c2)coc2cc(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)ccc12Aglycone:
O=c1c(-c2ccc(O)c(CO)c2)coc2cc(O)ccc12Sugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.44 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 228.97 | NumAromaticRings: | 3 |
Unique Aglycone
AD47294
Formula: C16H12O5
Smiles:
O=c1c(-c2ccc(O)c(CO)c2)coc2cc(O)ccc12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.06 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 2 |
| MolWt: | 284.27 | Num_heavy_atoms: | 21 |
| TPSA: | 90.9 | NumAromaticRings: | 3 |
