Glycoside
GD018336
Name:
NoneFormula:
C22H43O9N9Smiles:
[N-]=[N+]=N[C@H]1[C@H](O[C@@H]2O[C@H](CN)CC[C@H]2N)[C@@H](N)C[C@@H](NC(=O)[C@H](O)CCN)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](N)[C@H]1OAglycone:
[N-]=[N+]=NC1C(O)C(NC(=O)C(O)CCN)CC(N)C1OC1OC(CN)CCC1NSugarmoiety:
NC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.95 |
| AlogP: | -5.08 | Num_rotatable_bonds: | 11 |
| MolWt: | 577.64 | Num_heavy_atoms: | 40 |
| TPSA: | 325.8 | NumAromaticRings: | 0 |
Unique Aglycone
AD12954
Formula: C16H32O5N8
Smiles:
[N-]=[N+]=NC1C(O)C(NC(=O)C(O)CCN)CC(N)C1OC1OC(CN)CCC1N| HBA: | 13 | RingCount: | 2 |
| HBD: | 11 | FractionCSP3: | 0.94 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 8 |
| MolWt: | 416.48 | Num_heavy_atoms: | 29 |
| TPSA: | 240.86 | NumAromaticRings: | 0 |
