Glycoside
GD124403
Name:
5-(3-hydroxy-4-{3-[hydroxy(phenyl)methyl]oxiran-2-yl}-5-methoxyphenoxy)-6-(hydroxymethyl)oxane-2,3,4-triolFormula:
C22H26O10Smiles:
COc1cc(OC2C(CO)OC(O)C(O)C2O)cc(O)c1C1OC1C(O)c1ccccc1Aglycone:
COc1cc(O)cc(O)c1C1OC1C(O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.45 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 450.44 | Num_heavy_atoms: | 32 |
| TPSA: | 161.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD50252
Formula: C16H16O5
Smiles:
COc1cc(O)cc(O)c1C1OC1C(O)c1ccccc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 4 |
| MolWt: | 288.3 | Num_heavy_atoms: | 21 |
| TPSA: | 82.45 | NumAromaticRings: | 2 |
