Glycoside
GD117267
Name:
3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}-2-[(3,4,5-trihydroxyoxan-2-yl)amino]propanenitrileFormula:
C14H25O9N3Smiles:
N#CC(CNC1OC(CO)C(O)C(O)C1O)NC1OCC(O)C(O)C1OAglycone:
N#CC(N)CNSugarmoiety:
OC1COC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | -5.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 379.37 | Num_heavy_atoms: | 26 |
| TPSA: | 207.92 | NumAromaticRings: | 0 |
Unique Aglycone
AD46731
Formula: C3H7N3
Smiles:
N#CC(N)CN| HBA: | 3 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 1 |
| MolWt: | 85.11 | Num_heavy_atoms: | 6 |
| TPSA: | 75.83 | NumAromaticRings: | 0 |
