Glycoside
GD045223
Name:
NoneFormula:
C12H23O5N2Smiles:
C[C@H](CCCC#N)[NH2+][C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
CC([NH3+])CCCC#NSugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | -2.57 | Num_rotatable_bonds: | 6 |
| MolWt: | 275.33 | Num_heavy_atoms: | 19 |
| TPSA: | 130.55 | NumAromaticRings: | 0 |
Unique Aglycone
AD25248
Formula: C6H13N2
Smiles:
CC([NH3+])CCCC#N| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.83 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 3 |
| MolWt: | 113.18 | Num_heavy_atoms: | 8 |
| TPSA: | 51.43 | NumAromaticRings: | 0 |
