Glycoside
GD139743
Name:
Pratensein 7-O-(6''-Malonylglucoside)Formula:
C25H24O14Smiles:
COc1ccc(-c2coc3cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc(O)c3c2=O)cc1OAglycone:
COC(=O)CC(=O)O.COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 0.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 548.45 | Num_heavy_atoms: | 39 |
| TPSA: | 222.65 | NumAromaticRings: | 3 |
Unique Aglycone
AD04733
Formula: C4H6O4
Smiles:
COC(=O)CC(=O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.09 | Num_heavy_atoms: | 8 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
AD49012
Formula: C16H12O6
Smiles:
COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1O| 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 |
