Glycoside
GD031500
Name:
NoneFormula:
C16H24O7N6S2Smiles:
Nc1ncnc2c1c(SC1CCCCC1O)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.Nc1ncnc2c1C(SC1CCCCC1O)=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.69 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.54 | Num_heavy_atoms: | 31 |
| TPSA: | 208.93 | NumAromaticRings: | 2 |
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 |
AD20287
Formula: C11H14ON5S
Smiles:
Nc1ncnc2c1C(SC1CCCCC1O)=N[N]2| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.55 |
| AlogP: | 1.01 | Num_rotatable_bonds: | 1 |
| MolWt: | 264.33 | Num_heavy_atoms: | 18 |
| TPSA: | 98.49 | NumAromaticRings: | 1 |
