Glycoside
GD057522
Name:
NoneFormula:
C15H22O6N2Smiles:
Cc1cnccc1CCC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
Cc1cnccc1CCC(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 326.35 | Num_heavy_atoms: | 23 |
| TPSA: | 132.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD28848
Formula: C9H12ON2
Smiles:
Cc1cnccc1CCC(N)=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 164.21 | Num_heavy_atoms: | 12 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
