Glycoside
GD026418
Name:
NoneFormula:
C28H47O11N7Smiles:
Cc1ccccc1C(=O)NCC(=O)N[C@@H]1[C@H](CN)O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](N)[C@H]3O)[C@@H](N)C[C@H]2N)[C@H](N)[C@H]1OAglycone:
Cc1ccccc1C(=O)NCC(=O)NC1C(CN)OC(OC2C(N)CC(N)C(O)C2O)C(N)C1OSugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.71 |
| AlogP: | -6.46 | Num_rotatable_bonds: | 10 |
| MolWt: | 657.72 | Num_heavy_atoms: | 46 |
| TPSA: | 326.37 | NumAromaticRings: | 1 |
Unique Aglycone
AD17417
Formula: C22H36O7N6
Smiles:
Cc1ccccc1C(=O)NCC(=O)NC1C(CN)OC(OC2C(N)CC(N)C(O)C2O)C(N)C1O| HBA: | 13 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.64 |
| AlogP: | -4.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 496.57 | Num_heavy_atoms: | 35 |
| TPSA: | 241.43 | NumAromaticRings: | 1 |
