Glycoside
GD093722
Name:
NoneFormula:
C18H43O7N6Smiles:
N[C@H]1[C@H](O[C@H]2O[C@H](C[NH3+])CC[C@H]2[NH3+])[C@@H]([NH3+])C[C@@H]([NH3+])[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]1OAglycone:
NC1C(O)C([NH3+])CC([NH3+])C1OC1OC(C[NH3+])CCC1[NH3+]Sugarmoiety:
[NH3+]C1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 20 | FractionCSP3: | 1.0 |
| AlogP: | -8.88 | Num_rotatable_bonds: | 6 |
| MolWt: | 455.58 | Num_heavy_atoms: | 31 |
| TPSA: | 261.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD40444
Formula: C12H31O3N5
Smiles:
NC1C(O)C([NH3+])CC([NH3+])C1OC1OC(C[NH3+])CCC1[NH3+]| HBA: | 8 | RingCount: | 2 |
| HBD: | 15 | FractionCSP3: | 1.0 |
| AlogP: | -5.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 293.41 | Num_heavy_atoms: | 20 |
| TPSA: | 175.27 | NumAromaticRings: | 0 |
