Glycoside
GD100351
Name:
NoneFormula:
C25H33O6N2Smiles:
C[C@@H]1[C@H](CC(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[N@H+]1C(c1ccccc1)c1ccccc1Aglycone:
CC1C(CC(N)=O)C[NH+]1C(c1ccccc1)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 7 |
| MolWt: | 457.55 | Num_heavy_atoms: | 33 |
| TPSA: | 123.69 | NumAromaticRings: | 2 |
Unique Aglycone
AD42399
Formula: C19H23ON2
Smiles:
CC1C(CC(N)=O)C[NH+]1C(c1ccccc1)c1ccccc1| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.32 |
| AlogP: | 1.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 295.41 | Num_heavy_atoms: | 22 |
| TPSA: | 47.53 | NumAromaticRings: | 2 |
