Glycoside
GD106365
Name:
NoneFormula:
C28H38O11N2Smiles:
C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1[C@H](C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]2CCCC[C@@H]21Aglycone:
CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1C(C(=O)O)CC2CCCCC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.64 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 10 |
| MolWt: | 578.62 | Num_heavy_atoms: | 41 |
| TPSA: | 203.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD44160
Formula: C22H30O5N2
Smiles:
CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1C(C(=O)O)CC2CCCCC21| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.59 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 402.49 | Num_heavy_atoms: | 29 |
| TPSA: | 106.94 | NumAromaticRings: | 1 |
