Glycoside
GD036164
Name:
NoneFormula:
C17H24O6N6S2Smiles:
Nc1ncnc2c1c(SCC1=CCCCC1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.Nc1ncnc2c1C(SCC1=CCCCC1)=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 472.55 | Num_heavy_atoms: | 31 |
| TPSA: | 188.7 | 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 |
AD22835
Formula: C12H14N5S
Smiles:
Nc1ncnc2c1C(SCC1=CCCCC1)=N[N]2| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 2.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 260.35 | Num_heavy_atoms: | 18 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
