Glycoside
GD028411
Name:
NoneFormula:
C13H18O4N6SSmiles:
NC(=O)CCSC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1OAglycone:
CSCCC(N)=O.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 354.39 | Num_heavy_atoms: | 24 |
| TPSA: | 162.4 | NumAromaticRings: | 2 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD13929
Formula: C4H9ONS
Smiles:
CSCCC(N)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 3 |
| MolWt: | 119.19 | Num_heavy_atoms: | 7 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
