Glycoside
GD099052
Name:
NoneFormula:
C21H37O9N2Smiles:
COC(=O)[C@@H]1C[C@H]2C[C@H]([NH2+][C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)C[C@@H](C1)N2C(=O)OC(C)(C)CAglycone:
COC(=O)C1CC2CC([NH3+])CC(C1)N2C(=O)OC(C)(C)CSugarmoiety:
OCC1OC(O)C([OH2+])C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -1.93 | Num_rotatable_bonds: | 4 |
| MolWt: | 461.53 | Num_heavy_atoms: | 32 |
| TPSA: | 162.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD42166
Formula: C15H27O4N2
Smiles:
COC(=O)C1CC2CC([NH3+])CC(C1)N2C(=O)OC(C)(C)C| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 299.39 | Num_heavy_atoms: | 21 |
| TPSA: | 83.48 | NumAromaticRings: | 0 |
