Glycoside
GD027822
Name:
NoneFormula:
C14H27O8SSmiles:
CCCCCCCCO[C@@H]1O[C@H](CS(=O)(=O)[O-])[C@H](O)[C@H](O)[C@H]1OAglycone:
CCCCCCCCO.CS(=O)(=O)[O-]Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 10 |
| MolWt: | 355.43 | Num_heavy_atoms: | 23 |
| TPSA: | 136.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD00023
Formula: C8H18O
Smiles:
CCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 130.23 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD00413
Formula: CH3O3S
Smiles:
CS(=O)(=O)[O-]| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 95.1 | Num_heavy_atoms: | 5 |
| TPSA: | 57.2 | NumAromaticRings: | 0 |
