Glycoside
GD050655
Name:
NoneFormula:
C14H24O5N2Smiles:
C[C@]1(C#N)CC[C@H](N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)CC1Aglycone:
CC1(C#N)CCC(N)CC1Sugarmoiety:
O=CC(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 300.36 | Num_heavy_atoms: | 21 |
| TPSA: | 133.81 | NumAromaticRings: | 0 |
Unique Aglycone
AD26683
Formula: C8H14N2
Smiles:
CC1(C#N)CCC(N)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 0 |
| MolWt: | 138.21 | Num_heavy_atoms: | 10 |
| TPSA: | 49.81 | NumAromaticRings: | 0 |
