Glycoside
GD082646
Name:
NoneFormula:
C17H23O8NSSmiles:
CC1(C)C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(=O)C2=C1SCC(=O)N2Aglycone:
CC1(C)C(CO)=CC(=O)C2=C1SCC(=O)N2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 4 |
| MolWt: | 401.44 | Num_heavy_atoms: | 27 |
| TPSA: | 145.55 | NumAromaticRings: | 0 |
Unique Aglycone
AD37090
Formula: C11H13O3NS
Smiles:
CC1(C)C(CO)=CC(=O)C2=C1SCC(=O)N2| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.45 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 239.3 | Num_heavy_atoms: | 16 |
| TPSA: | 66.4 | NumAromaticRings: | 0 |
