Glycoside
GD031789
Name:
NoneFormula:
C17H23O7N6ClSSmiles:
CC(C)C[C@H](Cl)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(Cl)CC(C)C.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 8 |
| MolWt: | 478.92 | Num_heavy_atoms: | 31 |
| TPSA: | 191.78 | 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 |
AD09856
Formula: C8H14O4NClS
Smiles:
COS(=O)(=O)NC(=O)C(Cl)CC(C)C| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 243.71 | Num_heavy_atoms: | 14 |
| TPSA: | 72.47 | NumAromaticRings: | 0 |
