Glycoside
GD001319
Name:
NoneFormula:
C11H16O5N2S2Smiles:
CSc1cnn(C2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)c1SCAglycone:
CSc1cn[nH]c(=O)c1SCSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 320.39 | Num_heavy_atoms: | 20 |
| TPSA: | 104.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD01351
Formula: C6H8ON2S2
Smiles:
CSc1cn[nH]c(=O)c1SC| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 188.28 | Num_heavy_atoms: | 11 |
| TPSA: | 45.75 | NumAromaticRings: | 1 |
