Glycoside
GD038938
Name:
1,3-di(n-propyloxy-a-mannopyranosyl)-carbomyl 5-methyazido-benzeneFormula:
C27H41O14N5Smiles:
[N-]=[N+]=NCc1cc(C(=O)NCCCO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc(C(=O)NCCCO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c1Aglycone:
[N-]=[N+]=NCc1cc(C(=O)NCCCO)cc(C(=O)NCCCO)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.7 |
| AlogP: | -3.63 | Num_rotatable_bonds: | 16 |
| MolWt: | 659.65 | Num_heavy_atoms: | 46 |
| TPSA: | 305.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD24196
Formula: C15H21O4N5
Smiles:
[N-]=[N+]=NCc1cc(C(=O)NCCCO)cc(C(=O)NCCCO)c1| HBA: | 9 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 335.36 | Num_heavy_atoms: | 24 |
| TPSA: | 147.42 | NumAromaticRings: | 1 |
