Glycoside
GD119510
Name:
2-{[6-(3-hydroxybut-1-en-1-yl)-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,4-triolFormula:
C19H32O8Smiles:
CC(O)C=CC12OC1(C)CC(OC1OC(CO)CC(O)(O)C1O)CC2(C)CAglycone:
CC(O)C=CC12OC1(C)CC(O)CC2(C)CSugarmoiety:
OCC1CC(O)(O)C(O)C(O)O1Other Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 388.46 | Num_heavy_atoms: | 27 |
| TPSA: | 132.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD11477
Formula: C13H22O3
Smiles:
CC(O)C=CC12OC1(C)CC(O)CC2(C)C| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.85 |
| AlogP: | 1.63 | Num_rotatable_bonds: | 2 |
| MolWt: | 226.32 | Num_heavy_atoms: | 16 |
| TPSA: | 52.99 | NumAromaticRings: | 0 |
