Glycoside
GD123390
Name:
2-{4-[1-hydroxy-4-(4-hydroxyphenyl)but-2-en-2-yl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C22H26O8Smiles:
OCC(=CCc1ccc(O)cc1)c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
OCC(=CCc1ccc(O)cc1)c1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.36 |
| AlogP: | 0.19 | Num_rotatable_bonds: | 7 |
| MolWt: | 418.44 | Num_heavy_atoms: | 30 |
| TPSA: | 139.84 | NumAromaticRings: | 2 |
Unique Aglycone
AD49787
Formula: C16H16O3
Smiles:
OCC(=CCc1ccc(O)cc1)c1ccc(O)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 256.3 | Num_heavy_atoms: | 19 |
| TPSA: | 60.69 | NumAromaticRings: | 2 |
