Glycoside
GD030020
Name:
NoneFormula:
C18H25O7N6ClSSmiles:
CNc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@H](Cl)CC(C)C)[C@H](O)[C@H]1OAglycone:
CNc1ncnc2c1N=C[N]2.COS(=O)(=O)NC(=O)C(Cl)CC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 9 |
| MolWt: | 492.94 | Num_heavy_atoms: | 32 |
| TPSA: | 177.79 | NumAromaticRings: | 2 |
Unique Aglycone
AD02186
Formula: C6H6N5
Smiles:
CNc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.15 | Num_heavy_atoms: | 11 |
| TPSA: | 64.27 | 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 |
