Glycoside
GD101255
Name:
NoneFormula:
C19H24O5N6S2Smiles:
CSC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(S(=O)(=O)N(C)C)cc4)ncnc32)[C@H](O)[C@@H]1OAglycone:
CN(C)S(=O)(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 480.57 | Num_heavy_atoms: | 32 |
| TPSA: | 142.7 | NumAromaticRings: | 3 |
Unique Aglycone
AD42829
Formula: C13H13O2N6S
Smiles:
CN(C)S(=O)(=O)c1ccc(Nc2ncnc3c2N=C[N]3)cc1| HBA: | 8 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.15 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 317.35 | Num_heavy_atoms: | 22 |
| TPSA: | 101.65 | NumAromaticRings: | 2 |
