Glycoside
GD047444
Name:
NoneFormula:
C13H20O5N2SSmiles:
OC[C@H]1O[C@@H](O)[C@H](N[C@H]2CCc3ncsc3C2)[C@@H](O)[C@@H]1OAglycone:
NC1CCc2ncsc2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 316.38 | Num_heavy_atoms: | 21 |
| TPSA: | 115.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD25507
Formula: C7H10N2S
Smiles:
NC1CCc2ncsc2C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 154.24 | Num_heavy_atoms: | 10 |
| TPSA: | 38.91 | NumAromaticRings: | 1 |
