Glycoside
GD045152
Name:
NoneFormula:
C11H16O6N2Smiles:
N#CC1(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1Aglycone:
N#CC1(C(N)=O)CC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.82 |
| AlogP: | -2.79 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.26 | Num_heavy_atoms: | 19 |
| TPSA: | 143.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD25212
Formula: C5H6ON2
Smiles:
N#CC1(C(N)=O)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | -0.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.12 | Num_heavy_atoms: | 8 |
| TPSA: | 66.88 | NumAromaticRings: | 0 |
