Glycoside
GD128439
Name:
2-{[(6-hydroxy-2,6-dimethylocta-2,7-dien-1-yl)oxy]methyl}-6-(4-hydroxyphenoxy)oxane-3,4,5-triolFormula:
C22H32O8Smiles:
C=CC(C)(O)CCC=C(C)COCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1OAglycone:
C=CC(C)(O)CCC=C(C)COC.Oc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.55 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 10 |
| MolWt: | 424.49 | Num_heavy_atoms: | 30 |
| TPSA: | 128.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD00519
Formula: C6H6O2
Smiles:
Oc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
AD52022
Formula: C11H20O2
Smiles:
C=CC(C)(O)CCC=C(C)COC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.64 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 184.28 | Num_heavy_atoms: | 13 |
| TPSA: | 29.46 | NumAromaticRings: | 0 |
