Glycoside
GD019206
Name:
NoneFormula:
C15H19O6NSSmiles:
COc1ccc(N2C(=O)CS[C@H]2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1Aglycone:
COc1ccc(N2CSCC2=O)cc1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 4 |
| MolWt: | 341.38 | Num_heavy_atoms: | 23 |
| TPSA: | 99.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD13440
Formula: C10H11O2NS
Smiles:
COc1ccc(N2CSCC2=O)cc1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 2 |
| MolWt: | 209.27 | Num_heavy_atoms: | 14 |
| TPSA: | 29.54 | NumAromaticRings: | 1 |
