Glycoside
GD050705
Name:
NoneFormula:
C13H21O5N2SSmiles:
O=C[C@H]([NH2+][C@H]1CCc2ncsc2C1)[C@@H](O)[C@H](O)[C@H](O)COAglycone:
[NH3+]C1CCc2ncsc2C1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 7 |
| MolWt: | 317.39 | Num_heavy_atoms: | 21 |
| TPSA: | 127.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD26701
Formula: C7H11N2S
Smiles:
[NH3+]C1CCc2ncsc2C1| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 0 |
| MolWt: | 155.25 | Num_heavy_atoms: | 10 |
| TPSA: | 40.53 | NumAromaticRings: | 1 |
