Glycoside
GD042418
Name:
NoneFormula:
C9H13O5N3Smiles:
COC(=N)/C(C#N)=N/[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1OAglycone:
COC(=N)C(=N)C#NSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.99 | Num_rotatable_bonds: | 2 |
| MolWt: | 243.22 | Num_heavy_atoms: | 17 |
| TPSA: | 139.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD24849
Formula: C4H5ON3
Smiles:
COC(=N)C(=N)C#N| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.1 | Num_heavy_atoms: | 8 |
| TPSA: | 80.72 | NumAromaticRings: | 0 |
