Glycoside
GD004921
Name:
NoneFormula:
C14H21O20NS3Smiles:
CO[C@H]1[C@H](O)[C@@H](OS(=O)(=O)[O-])[C@@H](O[C@@H]2[C@H](COS(=O)(=O)[O-])O[C@H](OC)[C@H](NS(=O)(=O)[O-])[C@H]2O)O[C@H]1C(=O)[O-]Aglycone:
COS(=O)(=O)[O-].NS(=O)(=O)[O-].O=S(=O)([O-])OSugarmoiety:
COC1OC(O)C(OC2OC(C(=O)O)C(OC)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.93 |
| AlogP: | -7.3 | Num_rotatable_bonds: | 12 |
| MolWt: | 619.51 | Num_heavy_atoms: | 38 |
| TPSA: | 328.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD00426
Formula: HO4S
Smiles:
O=S(=O)([O-])O| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 97.07 | Num_heavy_atoms: | 5 |
| TPSA: | 77.43 | NumAromaticRings: | 0 |
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 |
AD00924
Formula: H2O3NS
Smiles:
NS(=O)(=O)[O-]| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 96.09 | Num_heavy_atoms: | 5 |
| TPSA: | 83.22 | NumAromaticRings: | 0 |
