Glycoside
GD052296
Name:
NoneFormula:
C14H25O5N2Smiles:
C[C@@H]1O[C@@H](OCC[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#CC1CCC([NH2+]CCO)C1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | -1.91 | Num_rotatable_bonds: | 5 |
| MolWt: | 301.36 | Num_heavy_atoms: | 21 |
| TPSA: | 119.55 | NumAromaticRings: | 0 |
Unique Aglycone
AD27137
Formula: C8H15ON2
Smiles:
N#CC1CCC([NH2+]CCO)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 155.22 | Num_heavy_atoms: | 11 |
| TPSA: | 60.63 | NumAromaticRings: | 0 |
