Glycoside
GD139830
Name:
Formononetin 7-O-(2''-P-Hydroxybenzoylglucoside)Formula:
C29H26O11Smiles:
COc1ccc(-c2coc3cc(OC4OC(CO)C(O)C(O)C4OC(=O)c4ccc(O)cc4)ccc3c2=O)cc1Aglycone:
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1.O=C(O)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.24 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 550.52 | Num_heavy_atoms: | 40 |
| TPSA: | 165.12 | NumAromaticRings: | 4 |
Unique Aglycone
AD02360
Formula: C7H6O3
Smiles:
O=C(O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD08007
Formula: C16H12O4
Smiles:
COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 268.27 | Num_heavy_atoms: | 20 |
| TPSA: | 59.67 | NumAromaticRings: | 3 |
