Glycoside
GD078871
Name:
NoneFormula:
C18H23O6NSSmiles:
CCCC#CC(=O)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1Aglycone:
CCCC#CC(=O)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 381.45 | Num_heavy_atoms: | 26 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD36238
Formula: C12H13ONS
Smiles:
CCCC#CC(=O)Nc1ccc(S)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 219.31 | Num_heavy_atoms: | 15 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
