Glycoside
GD085160
Name:
NoneFormula:
C14H18O5N6S2Smiles:
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]2Sugarmoiety:
CSCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.47 | Num_heavy_atoms: | 27 |
| TPSA: | 163.25 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
