Glycoside
GD143928
Name:
2-{[2,4-dihydroxy-2-(5-hydroxy-3-methylpenta-1,3-dien-1-yl)-1,3,3-trimethylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C21H36O9Smiles:
CC(C=CC1(O)C(C)(OC2OC(CO)C(O)C(O)C2O)CCC(O)C1(C)C)=CCOAglycone:
CC(C=CC1(O)C(C)(O)CCC(O)C1(C)C)=CCOSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.81 |
| AlogP: | -1.03 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.51 | Num_heavy_atoms: | 30 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD57871
Formula: C15H26O4
Smiles:
CC(C=CC1(O)C(C)(O)CCC(O)C1(C)C)=CCO| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 270.37 | Num_heavy_atoms: | 19 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
