Glycoside
GD086453
Name:
NoneFormula:
C19H42O7N5Smiles:
C[NH2+][C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]3OC(C[NH3+])=CC[C@@H]3[NH3+])[C@H]2O)OC[C@]1(C)OAglycone:
[NH3+]CC1=CCC([NH3+])C(OC2C([NH3+])CC([NH3+])C(O)C2O)O1Sugarmoiety:
C[NH2+]C1C(O)C(O)OCC1(C)OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.89 |
| AlogP: | -7.74 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.57 | Num_heavy_atoms: | 31 |
| TPSA: | 224.78 | NumAromaticRings: | 0 |
Unique Aglycone
AD38282
Formula: C12H28O4N4
Smiles:
[NH3+]CC1=CCC([NH3+])C(OC2C([NH3+])CC([NH3+])C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 14 | FractionCSP3: | 0.83 |
| AlogP: | -5.8 | Num_rotatable_bonds: | 3 |
| MolWt: | 292.38 | Num_heavy_atoms: | 20 |
| TPSA: | 169.48 | NumAromaticRings: | 0 |
