Glycoside
GD005458
Name:
NoneFormula:
C13H19O6N2Smiles:
O=C(NCCO)c1ccc[n+]([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1Aglycone:
O=C(NCCO)c1ccc[nH+]c1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.54 |
| AlogP: | -2.69 | Num_rotatable_bonds: | 5 |
| MolWt: | 299.3 | Num_heavy_atoms: | 21 |
| TPSA: | 123.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD04638
Formula: C8H11O2N2
Smiles:
O=C(NCCO)c1ccc[nH+]c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | -0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 167.19 | Num_heavy_atoms: | 12 |
| TPSA: | 63.47 | NumAromaticRings: | 1 |
