Glycoside
GD009777
Name:
NoneFormula:
C18H17O7N6ClSSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(NC(=O)c4ccc(Cl)cc4)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.O=C(Nc1ncnc2c1N=C[N]2)c1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 484.88 | Num_heavy_atoms: | 32 |
| TPSA: | 191.78 | 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 |
AD07638
Formula: C13H7ON5Cl
Smiles:
O=C(Nc1ncnc2c1N=C[N]2)c1ccc(Cl)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 2 |
| MolWt: | 272.68 | Num_heavy_atoms: | 19 |
| TPSA: | 81.34 | NumAromaticRings: | 2 |
