Glycoside
GD158202
Name:
[6-(hex-3-en-1-yloxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxidanesulfonic acidFormula:
C12H22O9SSmiles:
CCC=CCCOC1OC(CO)C(OS(=O)(=O)O)C(O)C1OAglycone:
CCC=CCCO.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 342.37 | Num_heavy_atoms: | 22 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD00034
Formula: H2O4S
Smiles:
O=S(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.65 | Num_rotatable_bonds: | 0 |
| MolWt: | 98.08 | Num_heavy_atoms: | 5 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
AD11558
Formula: C6H12O
Smiles:
CCC=CCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 100.16 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
