Glycoside
GD131124
Name:
3-(5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy)-3-phenylpropanoic acidFormula:
C21H24O10Smiles:
O=C(O)CC(Oc1cc(O)ccc1OC1OC(CO)C(O)C(O)C1O)c1ccccc1Aglycone:
O=C(O)CC(Oc1cc(O)ccc1O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 436.41 | Num_heavy_atoms: | 31 |
| TPSA: | 166.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD53129
Formula: C15H14O5
Smiles:
O=C(O)CC(Oc1cc(O)ccc1O)c1ccccc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.13 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 274.27 | Num_heavy_atoms: | 20 |
| TPSA: | 86.99 | NumAromaticRings: | 2 |
