Glycoside
GD049450
Name:
NoneFormula:
C13H21O6N3Smiles:
Cn1cc(CCC(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cn1Aglycone:
Cn1cc(CCC(N)=O)cn1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 5 |
| MolWt: | 315.33 | Num_heavy_atoms: | 22 |
| TPSA: | 137.07 | NumAromaticRings: | 1 |
Unique Aglycone
AD26179
Formula: C7H11ON3
Smiles:
Cn1cc(CCC(N)=O)cn1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 3 |
| MolWt: | 153.19 | Num_heavy_atoms: | 11 |
| TPSA: | 60.91 | NumAromaticRings: | 1 |
