Glycoside
GD032859
Name:
NoneFormula:
C13H19O8NSSmiles:
CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](SCC(N)=O)[C@@H]1OC(C)=OAglycone:
NC(=O)CSSugarmoiety:
CC(=O)OC1COC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.69 |
| AlogP: | -0.64 | Num_rotatable_bonds: | 6 |
| MolWt: | 349.36 | Num_heavy_atoms: | 23 |
| TPSA: | 131.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD01064
Formula: C2H5ONS
Smiles:
NC(=O)CS| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 1 |
| MolWt: | 91.13 | Num_heavy_atoms: | 5 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
