Glycoside
GD093714
Name:
NoneFormula:
C21H48O7N5Smiles:
C[NH2+][C@@H](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]3OC[C@](C)(O)[C@@H]([NH2+]C)[C@H]3O)[C@@H]2O)O1Aglycone:
C[NH2+]C(C)C1CCC([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: | 16 | FractionCSP3: | 1.0 |
| AlogP: | -7.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 482.64 | Num_heavy_atoms: | 33 |
| TPSA: | 213.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD40418
Formula: C14H34O4N4
Smiles:
C[NH2+]C(C)C1CCC([NH3+])C(OC2C([NH3+])CC([NH3+])C(O)C2O)O1| HBA: | 8 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -5.58 | Num_rotatable_bonds: | 4 |
| MolWt: | 322.45 | Num_heavy_atoms: | 22 |
| TPSA: | 158.45 | NumAromaticRings: | 0 |
