Glycoside
GD119553
Name:
2-{[2,4-dihydroxy-4-(3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C19H34O9Smiles:
CC(O)C=CC1(O)C(C)C(O)C(OC2OC(CO)C(O)C(O)C2O)CC1(C)CAglycone:
CC(O)C=CC1(O)C(C)C(O)C(O)CC1(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.89 |
| AlogP: | -1.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 406.47 | Num_heavy_atoms: | 28 |
| TPSA: | 160.07 | NumAromaticRings: | 0 |
Unique Aglycone
AD47922
Formula: C13H24O4
Smiles:
CC(O)C=CC1(O)C(C)C(O)C(O)CC1(C)C| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.85 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.33 | Num_heavy_atoms: | 17 |
| TPSA: | 80.92 | NumAromaticRings: | 0 |
