Glycoside
GD093719
Name:
NoneFormula:
C18H42O8N5Smiles:
[NH3+]C[C@@H]1CC[C@@H]([NH3+])[C@@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)O1Aglycone:
[NH3+]CC1CCC([NH3+])C(OC2C([NH3+])CC([NH3+])C(O)C2O)O1Sugarmoiety:
[NH3+]C1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 19 | FractionCSP3: | 1.0 |
| AlogP: | -8.85 | Num_rotatable_bonds: | 6 |
| MolWt: | 456.56 | Num_heavy_atoms: | 31 |
| TPSA: | 256.04 | NumAromaticRings: | 0 |
Unique Aglycone
AD38298
Formula: C12H30O4N4
Smiles:
[NH3+]CC1CCC([NH3+])C(OC2C([NH3+])CC([NH3+])C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -5.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 294.4 | Num_heavy_atoms: | 20 |
| TPSA: | 169.48 | NumAromaticRings: | 0 |
