Glycoside
GD007043
Name:
NoneFormula:
C26H48O9NSSmiles:
CCCCCCCCC=CCCCCCCCCO[C@@H]1O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](O)[C@H]1NC(C)=OAglycone:
CCCCCCCCC=CCCCCCCCCO.COS(=O)(=O)[O-]Sugarmoiety:
CC(=O)NC1C(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 21 |
| MolWt: | 550.74 | Num_heavy_atoms: | 37 |
| TPSA: | 154.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD00581
Formula: CH3O4S
Smiles:
COS(=O)(=O)[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.1 | Num_heavy_atoms: | 6 |
| TPSA: | 66.43 | NumAromaticRings: | 0 |
AD05761
Formula: C18H36O
Smiles:
CCCCCCCCC=CCCCCCCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 6.02 | Num_rotatable_bonds: | 15 |
| MolWt: | 268.48 | Num_heavy_atoms: | 19 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
