Glycoside
GD019711
Name:
NoneFormula:
C27H42O14S4Smiles:
CO[C@@H]1O[C@H](COCCCSCC(=O)[O-])[C@H](OCCCSCC(=O)[O-])[C@H](OCCCSCC(=O)[O-])[C@H]1OCCCSCC(=O)[O-]Aglycone:
COCCCSCC(=O)[O-].O=C([O-])CSCCCO.O=C([O-])CSCCCO.O=C([O-])CSCCCOSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.85 |
| AlogP: | -2.98 | Num_rotatable_bonds: | 30 |
| MolWt: | 718.89 | Num_heavy_atoms: | 45 |
| TPSA: | 215.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD13724
Formula: C6H11O3S
Smiles:
COCCCSCC(=O)[O-]| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 163.22 | Num_heavy_atoms: | 10 |
| TPSA: | 49.36 | NumAromaticRings: | 0 |
AD13725
Formula: C5H9O3S
Smiles:
O=C([O-])CSCCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 5 |
| MolWt: | 149.19 | Num_heavy_atoms: | 9 |
| TPSA: | 60.36 | NumAromaticRings: | 0 |
