Glycoside
GD042722
Name:
NoneFormula:
C8H15O6NSSmiles:
O=C(O)[C@@H]1CS[C@H]([C@H](O)[C@H](O)[C@H](O)CO)N1Aglycone:
O=C(O)C1CSCN1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -2.82 | Num_rotatable_bonds: | 5 |
| MolWt: | 253.28 | Num_heavy_atoms: | 16 |
| TPSA: | 130.25 | NumAromaticRings: | 0 |
Unique Aglycone
AD06024
Formula: C4H7O2NS
Smiles:
O=C(O)C1CSCN1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 133.17 | Num_heavy_atoms: | 8 |
| TPSA: | 49.33 | NumAromaticRings: | 0 |
