Glycoside
GD027940
Name:
NoneFormula:
C28H49O9N11Smiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O)[C@H]2NCCCCCCNC(=O)[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1OAglycone:
NC1CC(N)C(O)C(NCCCCCCNC=O)C1O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
NCC1OC(O)C(N)C(O)C1O.OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 5 |
| HBD: | 17 | FractionCSP3: | 0.79 |
| AlogP: | -5.8 | Num_rotatable_bonds: | 13 |
| MolWt: | 683.77 | Num_heavy_atoms: | 48 |
| TPSA: | 343.67 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD01861
Formula: C13H28O3N4
Smiles:
NC1CC(N)C(O)C(NCCCCCCNC=O)C1O| HBA: | 7 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.92 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 9 |
| MolWt: | 288.39 | Num_heavy_atoms: | 20 |
| TPSA: | 133.63 | NumAromaticRings: | 0 |
