Glycoside
GD158299
Name:
2-benzyl-4,5,6,7-tetrahydroxyhept-2-enoic acidFormula:
C14H18O6Smiles:
O=C(O)C(=CC(O)C(O)C(O)CO)Cc1ccccc1Aglycone:
C=C(Cc1ccccc1)C(=O)OSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.68 | Num_rotatable_bonds: | 7 |
| MolWt: | 282.29 | Num_heavy_atoms: | 20 |
| TPSA: | 118.22 | NumAromaticRings: | 1 |
Unique Aglycone
AD55871
Formula: C10H10O2
Smiles:
C=C(Cc1ccccc1)C(=O)O| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
