Glycoside
GD031456
Name:
NoneFormula:
C17H22O7N8SSmiles:
CC(C)c1cc(C(=O)NS(=O)(=O)OC[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)[nH]n1Aglycone:
COS(=O)(=O)NC(=O)c1cc(C(C)C)n[nH]1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.47 |
| AlogP: | -1.43 | Num_rotatable_bonds: | 7 |
| MolWt: | 482.48 | Num_heavy_atoms: | 33 |
| TPSA: | 220.46 | NumAromaticRings: | 3 |
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 |
AD18786
Formula: C8H13O4N3S
Smiles:
COS(=O)(=O)NC(=O)c1cc(C(C)C)n[nH]1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 247.28 | Num_heavy_atoms: | 16 |
| TPSA: | 101.15 | NumAromaticRings: | 1 |
