Glycoside
GD151084
Name:
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl 4-hydroxy-3-methoxybenzoateFormula:
C20H22O10Smiles:
COc1cc(C(=O)Oc2ccc(OC3OC(CO)C(O)C(O)C3O)cc2)ccc1OAglycone:
COc1cc(C(=O)Oc2ccc(O)cc2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | -0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 422.39 | Num_heavy_atoms: | 30 |
| TPSA: | 155.14 | NumAromaticRings: | 2 |
Unique Aglycone
AD60295
Formula: C14H12O5
Smiles:
COc1cc(C(=O)Oc2ccc(O)cc2)ccc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 260.25 | Num_heavy_atoms: | 19 |
| TPSA: | 75.99 | NumAromaticRings: | 2 |
