Glycoside
GD100737
Name:
NoneFormula:
C15H14O5N5Cl3S2Smiles:
CSC[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)C(Cl)(Cl)Cl)ncnc32)[C@H](O)[C@@H]1OAglycone:
O=S(=O)(Nc1ncnc2c1N=C[N]2)C(Cl)(Cl)ClSugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.58 |
| AlogP: | 0.88 | Num_rotatable_bonds: | 5 |
| MolWt: | 478.77 | Num_heavy_atoms: | 27 |
| TPSA: | 139.46 | NumAromaticRings: | 2 |
Unique Aglycone
AD39156
Formula: C9H3O2N5Cl3S
Smiles:
O=S(=O)(Nc1ncnc2c1N=C[N]2)C(Cl)(Cl)Cl| HBA: | 7 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 315.55 | Num_heavy_atoms: | 17 |
| TPSA: | 98.41 | NumAromaticRings: | 1 |
