Glycoside
GD082127
Name:
NoneFormula:
C16H24O8N2SSmiles:
C[C@@H](C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)N(c1ccccc1)S(C)(=O)=OAglycone:
CC(C(N)=O)N(c1ccccc1)S(C)(=O)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -2.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 404.44 | Num_heavy_atoms: | 27 |
| TPSA: | 156.63 | NumAromaticRings: | 1 |
Unique Aglycone
AD36876
Formula: C10H14O3N2S
Smiles:
CC(C(N)=O)N(c1ccccc1)S(C)(=O)=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 4 |
| MolWt: | 242.3 | Num_heavy_atoms: | 16 |
| TPSA: | 80.47 | NumAromaticRings: | 1 |
