Glycoside
GD058439
Name:
NoneFormula:
C10H17O9NSSmiles:
CC#CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
CC#CC(N)=O.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.7 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 4 |
| MolWt: | 327.31 | Num_heavy_atoms: | 21 |
| TPSA: | 168.94 | NumAromaticRings: | 0 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD29212
Formula: C4H5ON
Smiles:
CC#CC(N)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | -0.51 | Num_rotatable_bonds: | 0 |
| MolWt: | 83.09 | Num_heavy_atoms: | 6 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
