Glycoside
GD006119
Name:
NoneFormula:
C23H38O12N8Smiles:
C#CNC(=O)CC(=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#CNC(=O)CC(=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: | 20 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.83 |
| AlogP: | -6.72 | Num_rotatable_bonds: | 10 |
| MolWt: | 618.6 | Num_heavy_atoms: | 43 |
| TPSA: | 343.32 | 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 |
AD05090
Formula: C6H8O2N2
Smiles:
C#CNC(=O)CC(=O)NC| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 140.14 | Num_heavy_atoms: | 10 |
| TPSA: | 58.2 | NumAromaticRings: | 0 |
