Glycoside
GD023557
Name:
NoneFormula:
C17H17O6N6ClSSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(Nc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.Clc1ccc(Nc2ncnc3c2N=C[N]3)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.31 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 6 |
| MolWt: | 456.87 | Num_heavy_atoms: | 30 |
| TPSA: | 174.71 | NumAromaticRings: | 3 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD13175
Formula: C12H7N5Cl
Smiles:
Clc1ccc(Nc2ncnc3c2N=C[N]3)cc1| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.67 | Num_heavy_atoms: | 17 |
| TPSA: | 64.27 | NumAromaticRings: | 2 |
