Glycoside
GD103795
Name:
NoneFormula:
C17H24O5N6S2Smiles:
CC(C)CSC[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)[C@H](C)C#N)ncnc32)[C@H](O)[C@@H]1OAglycone:
CC(C#N)S(=O)(=O)Nc1ncnc2c1N=C[N]2.CSCC(C)CSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.65 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 8 |
| MolWt: | 456.55 | Num_heavy_atoms: | 30 |
| TPSA: | 163.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD00748
Formula: C5H12S
Smiles:
CSCC(C)C| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 2 |
| MolWt: | 104.22 | Num_heavy_atoms: | 6 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
AD38095
Formula: C8H7O2N6S
Smiles:
CC(C#N)S(=O)(=O)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 3 |
| MolWt: | 251.25 | Num_heavy_atoms: | 17 |
| TPSA: | 122.2 | NumAromaticRings: | 1 |
