Glycoside
GD044327
Name:
NoneFormula:
C8H18O4NS2Smiles:
[NH3+][C@@H](C1SCCS1)[C@H](O)[C@H](O)[C@H](O)COAglycone:
[NH3+]CC1SCCS1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 256.37 | Num_heavy_atoms: | 15 |
| TPSA: | 108.56 | NumAromaticRings: | 0 |
Unique Aglycone
AD24987
Formula: C4H10NS2
Smiles:
[NH3+]CC1SCCS1| HBA: | 1 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.27 | Num_heavy_atoms: | 7 |
| TPSA: | 27.64 | NumAromaticRings: | 0 |
