Glycoside
GD051043
Name:
NoneFormula:
C14H25O5N2Smiles:
C[C@]1(C#N)CC[C@H]([NH2+][C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1Aglycone:
CC1(C#N)CCC([NH3+])CC1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 3 |
| MolWt: | 301.36 | Num_heavy_atoms: | 21 |
| TPSA: | 130.55 | NumAromaticRings: | 0 |
Unique Aglycone
AD26822
Formula: C8H15N2
Smiles:
CC1(C#N)CCC([NH3+])CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 139.22 | Num_heavy_atoms: | 10 |
| TPSA: | 51.43 | NumAromaticRings: | 0 |
