Glycoside
GD106066
Name:
NoneFormula:
C22H49O10N6Smiles:
[NH3+]CC[C@H](O)C(=O)N[C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](C[NH3+])CC[C@H]2[NH3+])[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]1OAglycone:
[NH3+]CCC(O)C(=O)NC1CC([NH3+])C(OC2OC(C[NH3+])CCC2[NH3+])C(O)C1OSugarmoiety:
[NH3+]C1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 21 | FractionCSP3: | 0.95 |
| AlogP: | -9.98 | Num_rotatable_bonds: | 10 |
| MolWt: | 557.67 | Num_heavy_atoms: | 38 |
| TPSA: | 305.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD44105
Formula: C16H37O6N5
Smiles:
[NH3+]CCC(O)C(=O)NC1CC([NH3+])C(OC2OC(C[NH3+])CCC2[NH3+])C(O)C1O| HBA: | 11 | RingCount: | 2 |
| HBD: | 16 | FractionCSP3: | 0.94 |
| AlogP: | -7.06 | Num_rotatable_bonds: | 7 |
| MolWt: | 395.5 | Num_heavy_atoms: | 27 |
| TPSA: | 218.81 | NumAromaticRings: | 0 |
