Glycoside
GD135976
Name:
2-{2,4-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}-2-oxoacetic acidFormula:
C14H16O10Smiles:
O=C(O)C(=O)c1ccc(O)c(C2OC(CO)C(O)C(O)C2O)c1OAglycone:
O=C(O)C(=O)c1ccc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.43 |
| AlogP: | -2.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 344.27 | Num_heavy_atoms: | 24 |
| TPSA: | 184.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD54971
Formula: C8H6O5
Smiles:
O=C(O)C(=O)c1ccc(O)cc1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.13 | Num_heavy_atoms: | 13 |
| TPSA: | 94.83 | NumAromaticRings: | 1 |
