Glycoside
GD123403
Name:
2-{[2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H28O7Smiles:
C=C(C)C1CCC(C)(O)C(OC2OC(CO)C(O)C(O)C2O)C1Aglycone:
C=C(C)C1CCC(C)(O)C(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.39 | Num_heavy_atoms: | 23 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD45382
Formula: C10H18O2
Smiles:
C=C(C)C1CCC(C)(O)C(O)C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
