Glycoside
GD092144
Name:
NoneFormula:
C20H37O9N2Smiles:
COC(=O)[C@@H]1C[C@@H]([NH2+]CCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)CCN1C(=O)OC(C)(C)CAglycone:
COC(=O)C1CC([NH2+]CCO)CCN1C(=O)OC(C)(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 449.52 | Num_heavy_atoms: | 31 |
| TPSA: | 151.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD40231
Formula: C14H27O5N2
Smiles:
COC(=O)C1CC([NH2+]CCO)CCN1C(=O)OC(C)(C)C| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 303.38 | Num_heavy_atoms: | 21 |
| TPSA: | 92.68 | NumAromaticRings: | 0 |
