Glycoside
GD000953
Name:
NoneFormula:
C31H57O21S10Smiles:
O=S(=O)([O-])CCSCCCOC[C@@H]1O[C@H](OCCCSCCS(=O)(=O)[O-])[C@H](OCCCSCCS(=O)(=O)[O-])[C@H](OCCCSCCS(=O)(=O)[O-])[C@H]1OCCCSCCS(=O)(=O)[O-]Aglycone:
COCCCSCCS(=O)(=O)[O-].O=S(=O)([O-])CCSCCCO.O=S(=O)([O-])CCSCCCO.O=S(=O)([O-])CCSCCCO.O=S(=O)([O-])CCSCCCOSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 41 |
| MolWt: | 1086.45 | Num_heavy_atoms: | 62 |
| TPSA: | 341.38 | NumAromaticRings: | 0 |
Unique Aglycone
AD00994
Formula: C6H13O4S2
Smiles:
COCCCSCCS(=O)(=O)[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 7 |
| MolWt: | 213.3 | Num_heavy_atoms: | 12 |
| TPSA: | 66.43 | NumAromaticRings: | 0 |
AD00995
Formula: C5H11O4S2
Smiles:
O=S(=O)([O-])CCSCCCO| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 199.27 | Num_heavy_atoms: | 11 |
| TPSA: | 77.43 | NumAromaticRings: | 0 |
