Glycoside
GD053054
Name:
3-(2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoic acidFormula:
C15H20O9Smiles:
O=C(O)CCc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1OAglycone:
O=C(O)CCc1cccc(O)c1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -1.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 344.32 | Num_heavy_atoms: | 24 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD27224
Formula: C9H10O4
Smiles:
O=C(O)CCc1cccc(O)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.22 |
| AlogP: | 1.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
