Glycoside
GD130202
Name:
2-(benzoyloxy)-3-hydroxybutanedioic acidFormula:
C11H10O7Smiles:
O=C(OC(C(=O)O)C(O)C(=O)O)c1ccccc1Aglycone:
O=Cc1ccccc1Sugarmoiety:
O=C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.18 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 5 |
| MolWt: | 254.19 | Num_heavy_atoms: | 18 |
| TPSA: | 121.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD01696
Formula: C7H6O
Smiles:
O=Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 106.12 | Num_heavy_atoms: | 8 |
| TPSA: | 17.07 | NumAromaticRings: | 1 |
