Glycoside
GD139202
Name:
2-amino-3-{5-oxo-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,5-dihydro-1,2-oxazol-4-yl}propanoic acidFormula:
C12H18O9N2Smiles:
NC(Cc1cn(C2OC(CO)C(O)C(O)C2O)oc1=O)C(=O)OAglycone:
NC(CC1=C[N]OC1=O)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.67 |
| AlogP: | -3.63 | Num_rotatable_bonds: | 5 |
| MolWt: | 334.28 | Num_heavy_atoms: | 23 |
| TPSA: | 188.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD56127
Formula: C6H7O4N2
Smiles:
NC(CC1=C[N]OC1=O)C(=O)O| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 3 |
| MolWt: | 171.13 | Num_heavy_atoms: | 12 |
| TPSA: | 103.72 | NumAromaticRings: | 0 |
