Glycoside
GD011640
Name:
NoneFormula:
C31H50O14S4Smiles:
CO[C@@H]1O[C@H](COCCCSCCC(=O)[O-])[C@H](OCCCSCCC(=O)[O-])[C@H](OCCCSCCC(=O)[O-])[C@H]1OCCCSCCC(=O)[O-]Aglycone:
COCCCSCCC(=O)[O-].O=C([O-])CCSCCCO.O=C([O-])CCSCCCO.O=C([O-])CCSCCCOSugarmoiety:
COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.87 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 34 |
| MolWt: | 775.0 | Num_heavy_atoms: | 49 |
| TPSA: | 215.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD07488
Formula: C7H13O3S
Smiles:
COCCCSCCC(=O)[O-]| HBA: | 3 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.86 |
| AlogP: | -0.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 177.25 | Num_heavy_atoms: | 11 |
| TPSA: | 49.36 | NumAromaticRings: | 0 |
AD07489
Formula: C6H11O3S
Smiles:
O=C([O-])CCSCCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 6 |
| MolWt: | 163.22 | Num_heavy_atoms: | 10 |
| TPSA: | 60.36 | NumAromaticRings: | 0 |
