Glycoside
GD034352
Name:
NoneFormula:
C18H24O7N8SSmiles:
CC(C)(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)C)n[nH]1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -1.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 496.51 | Num_heavy_atoms: | 34 |
| 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 |
AD21845
Formula: C9H15O4N3S
Smiles:
COS(=O)(=O)NC(=O)c1cc(C(C)(C)C)n[nH]1| HBA: | 7 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.56 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 261.3 | Num_heavy_atoms: | 17 |
| TPSA: | 101.15 | NumAromaticRings: | 1 |
