Glycoside
GD081094
Name:
NoneFormula:
C12H27O10N2S2Smiles:
CS(=O)(=O)N1CCC([NH2+][C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CC1Aglycone:
COS(O)(O)O.CS(=O)(=O)N1CCC([NH3+])CC1Sugarmoiety:
OC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -3.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 423.49 | Num_heavy_atoms: | 26 |
| TPSA: | 193.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD29087
Formula: C6H15O2N2S
Smiles:
CS(=O)(=O)N1CCC([NH3+])CC1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.35 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.27 | Num_heavy_atoms: | 11 |
| TPSA: | 65.02 | NumAromaticRings: | 0 |
