Glycoside
GD085158
Name:
NoneFormula:
C13H16O5N6S2Smiles:
CSC[C@H]1O[C@@H](n2cnc3c(NS(=O)(=O)CC#N)ncnc32)[C@H](O)[C@@H]1OAglycone:
N#CCS(=O)(=O)Nc1ncnc2c1N=C[N]2Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.54 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 400.44 | Num_heavy_atoms: | 26 |
| TPSA: | 163.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD38094
Formula: C7H5O2N6S
Smiles:
N#CCS(=O)(=O)Nc1ncnc2c1N=C[N]2| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 3 |
| MolWt: | 237.22 | Num_heavy_atoms: | 16 |
| TPSA: | 122.2 | NumAromaticRings: | 1 |
