Glycoside
GD050831
Name:
NoneFormula:
C13H20O6N2Smiles:
N#C[C@H]1CC[C@H](NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)CC1Aglycone:
N#CC1CCC(N)CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 300.31 | Num_heavy_atoms: | 21 |
| TPSA: | 150.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD25107
Formula: C7H12N2
Smiles:
N#CC1CCC(N)CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 1.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 124.19 | Num_heavy_atoms: | 9 |
| TPSA: | 49.81 | NumAromaticRings: | 0 |
