Glycoside
GD093713
Name:
NoneFormula:
C18H42O9N5Smiles:
[NH3+]C[C@H]1O[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)[C@@H]([NH3+])C[C@@H]1OAglycone:
[NH3+]CC1OC(OC2C([NH3+])CC([NH3+])C(O)C2O)C([NH3+])CC1OSugarmoiety:
[NH3+]C1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 20 | FractionCSP3: | 1.0 |
| AlogP: | -9.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 472.56 | Num_heavy_atoms: | 32 |
| TPSA: | 276.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD40417
Formula: C12H30O5N4
Smiles:
[NH3+]CC1OC(OC2C([NH3+])CC([NH3+])C(O)C2O)C([NH3+])CC1O| HBA: | 9 | RingCount: | 2 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -6.95 | Num_rotatable_bonds: | 3 |
| MolWt: | 310.4 | Num_heavy_atoms: | 21 |
| TPSA: | 189.71 | NumAromaticRings: | 0 |
