Glycoside
GD130235
Name:
{3,5-dihydroxy-2-[(8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl)oxy]-6-(hydroxymethyl)oxan-4-yl}oxidanesulfonic acidFormula:
C16H28O10SSmiles:
C=CC(C)(CCC=C(C)CO)OC1OC(CO)C(O)C(OS(=O)(=O)O)C1OAglycone:
C=CC(C)(O)CCC=C(C)CO.O=S(=O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.75 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 10 |
| MolWt: | 412.46 | Num_heavy_atoms: | 27 |
| TPSA: | 162.98 | 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 |
AD13647
Formula: C10H18O2
Smiles:
C=CC(C)(O)CCC=C(C)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
