Glycoside
GD088945
Name:
NoneFormula:
C12H23O10NS3Smiles:
C[S@@](=O)/C=C\CC/C(=N\OS(O)(O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OAglycone:
CS(=O)C=CCCC(S)=NOS(O)(O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.75 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 8 |
| MolWt: | 437.51 | Num_heavy_atoms: | 26 |
| TPSA: | 189.5 | NumAromaticRings: | 0 |
Unique Aglycone
AD38888
Formula: C6H13O5NS3
Smiles:
CS(=O)C=CCCC(S)=NOS(O)(O)O| HBA: | 6 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 275.37 | Num_heavy_atoms: | 15 |
| TPSA: | 99.35 | NumAromaticRings: | 0 |
