Glycoside
GD028491
Name:
NoneFormula:
C18H30O10N4Smiles:
COC(=O)[C@@H]1C[C@H](OCCN=[N+]=[N-])[C@H](O[C@@H]2O[C@H](CN)[C@H](O)[C@H](O)[C@H]2O)C[C@H]1C(=O)OCAglycone:
COC(=O)C1CC(O)C(OCCN=[N+]=[N-])CC1C(=O)OCSugarmoiety:
NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 9 |
| MolWt: | 462.46 | Num_heavy_atoms: | 32 |
| TPSA: | 215.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD18604
Formula: C12H19O6N3
Smiles:
COC(=O)C1CC(O)C(OCCN=[N+]=[N-])CC1C(=O)OC| HBA: | 9 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 6 |
| MolWt: | 301.3 | Num_heavy_atoms: | 21 |
| TPSA: | 130.82 | NumAromaticRings: | 0 |
