Glycoside
GD050111
Name:
NoneFormula:
C12H17O7NSSmiles:
COc1cscc1C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
COc1cscc1C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 319.34 | Num_heavy_atoms: | 21 |
| TPSA: | 128.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD26502
Formula: C6H7O2NS
Smiles:
COc1cscc1C(N)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 2 |
| MolWt: | 157.19 | Num_heavy_atoms: | 10 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
