Glycoside
GD035291
Name:
NoneFormula:
C18H22O7N6S2Smiles:
COc1ccc(CSc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]3O)c3ncnc(N)c23)cc1Aglycone:
COS(N)(=O)=O.COc1ccc(CSC2=N[N]c3ncnc(N)c32)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 8 |
| MolWt: | 498.54 | Num_heavy_atoms: | 33 |
| TPSA: | 197.93 | 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 |
AD22340
Formula: C13H12ON5S
Smiles:
COc1ccc(CSC2=N[N]c3ncnc(N)c32)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.15 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.34 | Num_heavy_atoms: | 20 |
| TPSA: | 87.49 | NumAromaticRings: | 2 |
