Glycoside
GD018002
Name:
NoneFormula:
C22H44O9N8Smiles:
[N-]=[N+]=NCCCCO[C@H]1[C@H](O[C@@H]2O[C@H](CN)[C@H](O)C[C@H]2N)[C@@H](N)C[C@@H](N)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1OAglycone:
[N-]=[N+]=NCCCCOC1C(O)C(N)CC(N)C1OC1OC(CN)C(O)CC1NSugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 1.0 |
| AlogP: | -4.18 | Num_rotatable_bonds: | 12 |
| MolWt: | 564.64 | Num_heavy_atoms: | 39 |
| TPSA: | 305.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD12776
Formula: C16H33O5N7
Smiles:
[N-]=[N+]=NCCCCOC1C(O)C(N)CC(N)C1OC1OC(CN)C(O)CC1N| HBA: | 12 | RingCount: | 2 |
| HBD: | 10 | FractionCSP3: | 1.0 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 403.48 | Num_heavy_atoms: | 28 |
| TPSA: | 220.99 | NumAromaticRings: | 0 |
