Glycoside
GD082594
Name:
NoneFormula:
C18H28O8N3Smiles:
COc1cc(N2CCC([NH2+][C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC2)ccc1[N+](=O)[O-]Aglycone:
COc1cc(N2CCC([NH3+])CC2)ccc1[N+](=O)[O-]Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.67 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.44 | Num_heavy_atoms: | 29 |
| TPSA: | 162.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD37078
Formula: C12H18O3N3
Smiles:
COc1cc(N2CCC([NH3+])CC2)ccc1[N+](=O)[O-]| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 3 |
| MolWt: | 252.29 | Num_heavy_atoms: | 18 |
| TPSA: | 83.25 | NumAromaticRings: | 1 |
