Glycoside
GD013160
Name:
NoneFormula:
C18H22O7N6Cl2SSmiles:
CC(C)C[C@H](Cl)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@H]1OAglycone:
COS(=O)(=O)NC(=O)C(Cl)CC(C)C.Nc1nc(Cl)nc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 513.36 | Num_heavy_atoms: | 32 |
| TPSA: | 191.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD00532
Formula: C6H3N5Cl
Smiles:
Nc1nc(Cl)nc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 0 |
| MolWt: | 168.57 | Num_heavy_atoms: | 11 |
| 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 |
