Glycoside
GD036987
Name:
NoneFormula:
C17H27O7N7SSmiles:
CN[C@H](CC(C)C)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CNC(CC(C)C)C(=O)NS(=O)(=O)OC.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 9 |
| MolWt: | 473.51 | Num_heavy_atoms: | 32 |
| TPSA: | 203.81 | 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 |
AD23325
Formula: C8H18O4N2S
Smiles:
CNC(CC(C)C)C(=O)NS(=O)(=O)OC| HBA: | 6 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 238.31 | Num_heavy_atoms: | 15 |
| TPSA: | 84.5 | NumAromaticRings: | 0 |
