Glycoside
GD052595
Name:
NoneFormula:
C12H15O6NSSmiles:
C[C@@H]1O[C@H](Sc2ccc([N+](=O)[O-])cc2)[C@H](O)[C@H](O)[C@@H]1OAglycone:
O=[N+]([O-])c1ccc(S)cc1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.32 | Num_heavy_atoms: | 20 |
| TPSA: | 113.06 | NumAromaticRings: | 1 |
Unique Aglycone
AD11065
Formula: C6H5O2NS
Smiles:
O=[N+]([O-])c1ccc(S)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 1.88 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.18 | Num_heavy_atoms: | 10 |
| TPSA: | 43.14 | NumAromaticRings: | 1 |
