Glycoside
GD124397
Name:
2-{4-[1,3-dihydroxy-2-(2-hydroxy-4-methoxyphenyl)propyl]-3-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H28O11Smiles:
COc1ccc(C(CO)C(O)c2ccc(OC3OC(CO)C(O)C(O)C3O)cc2O)c(O)c1Aglycone:
COc1ccc(C(CO)C(O)c2ccc(O)cc2O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 468.46 | Num_heavy_atoms: | 33 |
| TPSA: | 189.53 | NumAromaticRings: | 2 |
Unique Aglycone
AD50249
Formula: C16H18O6
Smiles:
COc1ccc(C(CO)C(O)c2ccc(O)cc2O)c(O)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 306.31 | Num_heavy_atoms: | 22 |
| TPSA: | 110.38 | NumAromaticRings: | 2 |
