Glycoside
GD031440
Name:
NoneFormula:
C22H35O7N9SSmiles:
[N-]=[N+]=NCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)CCCCCCCCCCCN=[N+]=[N-].Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 17 |
| MolWt: | 569.65 | Num_heavy_atoms: | 39 |
| TPSA: | 240.54 | 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 |
AD20255
Formula: C13H26O4N4S
Smiles:
COS(=O)(=O)NC(=O)CCCCCCCCCCCN=[N+]=[N-]| HBA: | 8 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 14 |
| MolWt: | 334.44 | Num_heavy_atoms: | 22 |
| TPSA: | 121.23 | NumAromaticRings: | 0 |
