Glycoside
GD028301
Name:
NoneFormula:
C24H41O11N7Smiles:
C#CCCCC(=O)NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@H](CN=[N+]=[N-])[C@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
C#CCCCC(=O)NC.NC1CC(N)C(O)C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1O.[N-]=[N+]=NCC1OC(O)C(O)C(N)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.88 |
| AlogP: | -5.01 | Num_rotatable_bonds: | 11 |
| MolWt: | 603.63 | Num_heavy_atoms: | 42 |
| TPSA: | 314.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD09407
Formula: C7H11ON
Smiles:
C#CCCCC(=O)NC| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.57 |
| AlogP: | 0.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 125.17 | Num_heavy_atoms: | 9 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
