Glycoside
GD005780
Name:
NoneFormula:
C13H19O5N7SSmiles:
Nc1ncnc2c1nnn2[C@@H]1O[C@H](CSCCC(N)C(=O)O)[C@H](O)[C@H]1OAglycone:
CSCCC(N)C(=O)O.Nc1ncnc2c1N=N[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -2.04 | Num_rotatable_bonds: | 7 |
| MolWt: | 385.41 | Num_heavy_atoms: | 26 |
| TPSA: | 195.52 | NumAromaticRings: | 2 |
Unique Aglycone
AD00986
Formula: C4H3N6
Smiles:
Nc1ncnc2c1N=N[N]2| HBA: | 6 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.11 | Num_heavy_atoms: | 10 |
| TPSA: | 90.62 | NumAromaticRings: | 1 |
AD01546
Formula: C5H11O2NS
Smiles:
CSCCC(N)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 149.22 | Num_heavy_atoms: | 9 |
| TPSA: | 63.32 | NumAromaticRings: | 0 |
