Glycoside
GD067560
Name:
NoneFormula:
C13H14O8N2SSmiles:
COC(=O)c1scc(C#N)c1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
COC(=O)c1scc(C#N)c1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | -2.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 358.33 | Num_heavy_atoms: | 24 |
| TPSA: | 177.18 | NumAromaticRings: | 1 |
Unique Aglycone
AD32196
Formula: C7H6O2N2S
Smiles:
COC(=O)c1scc(C#N)c1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.14 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 1 |
| MolWt: | 182.2 | Num_heavy_atoms: | 12 |
| TPSA: | 76.11 | NumAromaticRings: | 1 |
