Glycoside
GD101252
Name:
NoneFormula:
C17H20O5N6S2Smiles:
CSC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(S(N)(=O)=O)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
NS(=O)(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.52 | Num_heavy_atoms: | 30 |
| TPSA: | 165.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD42826
Formula: C11H9O2N6S
Smiles:
NS(=O)(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 3 |
| MolWt: | 289.3 | Num_heavy_atoms: | 20 |
| TPSA: | 124.43 | NumAromaticRings: | 2 |
