Glycoside
GD059040
Name:
NoneFormula:
C13H21O3N6SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCC[NH3+])[C@@H](O)[C@H]1OAglycone:
CSCCC[NH3+].Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 341.42 | Num_heavy_atoms: | 23 |
| TPSA: | 146.95 | 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 |
AD29375
Formula: C4H12NS
Smiles:
CSCCC[NH3+]| HBA: | 1 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.02 | Num_rotatable_bonds: | 3 |
| MolWt: | 106.21 | Num_heavy_atoms: | 6 |
| TPSA: | 27.64 | NumAromaticRings: | 0 |
