Glycoside
GD106364
Name:
NoneFormula:
C27H36O11N2Smiles:
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]2CCC[C@@H]21Aglycone:
CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1C(C(=O)O)CC2CCCC21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -0.74 | Num_rotatable_bonds: | 10 |
| MolWt: | 564.59 | Num_heavy_atoms: | 40 |
| TPSA: | 203.16 | NumAromaticRings: | 1 |
Unique Aglycone
AD44157
Formula: C21H28O5N2
Smiles:
CC(NC(CCc1ccccc1)C(=O)O)C(=O)N1C(C(=O)O)CC2CCCC21| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 388.46 | Num_heavy_atoms: | 28 |
| TPSA: | 106.94 | NumAromaticRings: | 1 |
