Glycoside
GD034907
Name:
NoneFormula:
C19H21O5N6ClSSmiles:
NS(=O)(=O)CC[C@@H]1O[C@H](n2cnc3c(NCc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
CCS(N)(=O)=O.Clc1ccc(CNc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 7 |
| MolWt: | 468.92 | Num_heavy_atoms: | 31 |
| TPSA: | 165.48 | NumAromaticRings: | 3 |
Unique Aglycone
AD08742
Formula: C13H9N5Cl
Smiles:
Clc1ccc(CNc2ncnc3c2N=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 2.65 | Num_rotatable_bonds: | 3 |
| MolWt: | 258.69 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
AD10834
Formula: C2H7O2NS
Smiles:
CCS(N)(=O)=O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 109.15 | Num_heavy_atoms: | 6 |
| TPSA: | 60.16 | NumAromaticRings: | 0 |
