Glycoside
GD075836
Name:
NoneFormula:
C19H29O7N2Smiles:
COc1cccc(C(=O)N2CCC([NH2+][C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)CC2)c1Aglycone:
COc1cccc(C(=O)N2CCC([NH3+])CC2)c1Sugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -2.34 | Num_rotatable_bonds: | 5 |
| MolWt: | 397.45 | Num_heavy_atoms: | 28 |
| TPSA: | 136.3 | NumAromaticRings: | 1 |
Unique Aglycone
AD35123
Formula: C13H19O2N2
Smiles:
COc1cccc(C(=O)N2CCC([NH3+])CC2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 235.31 | Num_heavy_atoms: | 17 |
| TPSA: | 57.18 | NumAromaticRings: | 1 |
