Glycoside
GD052507
Name:
NoneFormula:
C14H19O5NSSmiles:
C=CNc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
C=CNc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | 0.13 | Num_rotatable_bonds: | 5 |
| MolWt: | 313.38 | Num_heavy_atoms: | 21 |
| TPSA: | 102.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD27160
Formula: C8H9NS
Smiles:
C=CNc1ccc(S)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.53 | Num_rotatable_bonds: | 2 |
| MolWt: | 151.23 | Num_heavy_atoms: | 10 |
| TPSA: | 12.03 | NumAromaticRings: | 1 |
