Glycoside
GD089391
Name:
NoneFormula:
C16H23O11NSSmiles:
C=CS(=O)(=O)N[C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
C=CS(N)(=O)=O.COC(C)=OSugarmoiety:
CC(=O)OCC1OOC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.62 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 8 |
| MolWt: | 437.42 | Num_heavy_atoms: | 29 |
| TPSA: | 160.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD27260
Formula: C2H5O2NS
Smiles:
C=CS(N)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 107.13 | Num_heavy_atoms: | 6 |
| TPSA: | 60.16 | NumAromaticRings: | 0 |
