Glycoside
GD052297
Name:
NoneFormula:
C15H27O5N2Smiles:
C[C@@H]1O[C@@H](OCC[NH2+][C@H]2CC[C@@H](C#N)CC2)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
N#CC1CCC([NH2+]CCO)CC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | -1.52 | Num_rotatable_bonds: | 5 |
| MolWt: | 315.39 | Num_heavy_atoms: | 22 |
| TPSA: | 119.55 | NumAromaticRings: | 0 |
Unique Aglycone
AD27138
Formula: C9H17ON2
Smiles:
N#CC1CCC([NH2+]CCO)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | -0.38 | Num_rotatable_bonds: | 3 |
| MolWt: | 169.25 | Num_heavy_atoms: | 12 |
| TPSA: | 60.63 | NumAromaticRings: | 0 |
