Glycoside
GD067400
Name:
NoneFormula:
C14H18O8N2SSmiles:
COc1ccc(C#N)c(S(=O)(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)c1Aglycone:
COc1ccc(C#N)c(S(N)(=O)=O)c1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -2.51 | Num_rotatable_bonds: | 9 |
| MolWt: | 374.37 | Num_heavy_atoms: | 25 |
| TPSA: | 177.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD32142
Formula: C8H8O3N2S
Smiles:
COc1ccc(C#N)c(S(N)(=O)=O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 212.23 | Num_heavy_atoms: | 14 |
| TPSA: | 93.18 | NumAromaticRings: | 1 |
